SCHEMBL1494233

SCHEMBL1494233

COc1cc(C(C)C)c(S(=O)(=O)c2ccc(C)cc2)cc1I

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
NR1I2 O75469 3/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 2/20 0.39
HTR6 P50406 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1494186 0.82 NR1I2 (0.43) CNR1ALDH1A1TSHRNR1I2MAPT
SCHEMBL1494399 0.81 NR1I2 (0.41) CNR1ALDH1A1TSHRNR1I2MAPT
SCHEMBL2484392 0.80 GFER (0.45) ALDH1A1TSHRMAPTGAAMEN1
SCHEMBL4762926 0.79 TP53 (0.38) CNR1ALDH1A1TSHRNR1I2MAPT
SCHEMBL4762991 0.79 NR1I2 (0.39) CNR1ALDH1A1TSHRNR1I2MAPT
SCHEMBL19407724 0.78 GAA (0.54) ALDH1A1TSHRMAPTGAATP53
SCHEMBL12101215 0.78 PAX8 (0.40) CNR1ALDH1A1TSHRNR1I2MAPT
SCHEMBL1494181 0.78 HPGDS (0.40) CNR1ALDH1A1TSHRNR1I2MAPT
SCHEMBL1494496 0.77 NR1I2 (0.37) CNR1ALDH1A1TSHRNR1I2MAPT
SCHEMBL1494481 0.76 CNR1 (0.57) CNR1MAPTHTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
US-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2025-02-27 US disclosed
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2025-01-23 US disclosed
US-20240285620-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH Afferent Pharmaceuticals, Inc. (US) 2024-08-29 US disclosed
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2024-05-16 US disclosed
EP-4215182-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH Afferent Pharmaceuticals Inc. (US) 2023-07-26 EP disclosed
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2023-03-30 US disclosed
US-20220143015-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH Afferent Pharmaceuticals, Inc. (US) 2022-05-12 US disclosed
EP-3981406-A1 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS Afferent Pharmaceuticals Inc. (US) 2022-04-13 EP disclosed
US-11260056-B2 Diaminopyrimidine P2X3 and P2X2/3 receptor modulators for use in the treatment of cough Afferent Pharmaceuticals, Inc. (US) 2022-03-01 US disclosed
US-7858632-B2 Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine ROCHE PALO ALTO LLC (US) 2010-12-28 US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
EP-1924264-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO disclosed
WO-2007025925-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049609-A1 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases ROCHE PALO ALTO LLC 2007-03-01 US disclosed
EP-1725540-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005095359-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-13 WO disclosed
US-20050209260-A1 Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine ROCHE PALO ALTO LLC 2005-09-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 CNR1 406/4885ALDH1A1 2017/4885TSHR 1029/4885
US-20220143015-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH P2RX3, P2RX2, P2RX5 CNR1 165/4885ALDH1A1 1122/4885TSHR 1021/4885
US-20050209260-A1 Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine P2RX3, P2RX2, P2RX1 CNR1 102/4885ALDH1A1 2010/4885TSHR 1157/4885
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 CNR1 406/4885ALDH1A1 2017/4885TSHR 1029/4885
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 CNR1 273/4885ALDH1A1 2230/4885TSHR 533/4885
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 CNR1 406/4885ALDH1A1 2017/4885TSHR 1029/4885
US-20070049609-A1 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases P2RX3, P2RX2, P2RX1 CNR1 273/4885ALDH1A1 2230/4885TSHR 533/4885
US-20240285620-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH P2RX3, P2RX2, P2RX5 CNR1 165/4885ALDH1A1 1122/4885TSHR 1021/4885
US-11260056-B2 Diaminopyrimidine P2X3 and P2X2/3 receptor modulators for use in the treatment of cough P2RX3, P2RX2, P2RX5 CNR1 165/4885ALDH1A1 1122/4885TSHR 1021/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.