Sugi Predict

Sugi Predict / Compounds / SCHEMBL357629

SCHEMBL357629

SCHEMBL357629

Cc1ccc(-c2cc(C(=O)O)cc(-n3nnnc3C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 8/20 0.47
▸ LMNA P02545 1/20 0.46
▸ DHODH Q02127 1/20 0.45
▸ P2RX3 P56373 1/20 0.45
▸ P2RX2 Q9UBL9 1/20 0.45
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ CTRC Q99895 1/20 0.41
▸ FABP1 P07148 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ TMEM97 Q5BJF2 2/20 0.39
▸ TSPO P30536 1/20 0.39

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
SCHEMBL4321368 0.90 P2RY14 (0.45) P2RY14LMNAP2RX3P2RX2RXRA
SCHEMBL18172367 0.90 LMNA (0.44) P2RY14LMNAP2RX3P2RX2TP53
SCHEMBL357632 0.86 P2RX3 (0.45) LMNADHODHP2RX3P2RX2PTK2
SCHEMBL4108678 0.85 P2RX3 (0.60) P2RY14LMNADHODHP2RX3P2RX2
SCHEMBL4051058 0.85 P2RX3 (0.46) P2RY14LMNADHODHP2RX3P2RX2
SCHEMBL4319870 0.85 P2RY14 (0.44) P2RY14DHODHP2RX3P2RX2RXRA
SCHEMBL13931306 0.84 LMNA (0.53) LMNAPTK2TP53MEN1KMT2A
SCHEMBL4314228 0.84 P2RX3 (0.46) P2RY14LMNADHODHP2RX3P2RX2
SCHEMBL4327351 0.84 P2RX3 (0.52) P2RY14LMNADHODHP2RX3P2RX2
SCHEMBL4333683 0.84 P2RX3 (0.46) P2RY14LMNADHODHP2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 — — EP claimed
EP-2592070-B1 Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2016-08-31 — — EP claimed
EP-2592070-A2 Tetrazole-substituted arylamides F. Hoffmann-La Roche AG (CH) 2013-05-15 — — EP claimed
US-10577332-B2 Tetrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-03 — — US disclosed
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 — — US disclosed
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 — — US disclosed
US-20180297961-A1 TETRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-10-18 — — US disclosed
EP-3286182-A1 TETRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS F. Hoffmann-La Roche AG (CH) 2018-02-28 — — EP disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 — — US disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 — — US disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 — — US disclosed
US-7595405-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2009-09-29 — — US disclosed
WO-2009077371-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 — — WO disclosed
US-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 — — US disclosed
US-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 — — US disclosed
US-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 — — US disclosed
WO-2008000645-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 — — WO disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 — — US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 — — US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 — — 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 (6 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-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS P2RX2, P2RX3, TPX2 P2RY14 19/4885LMNA 3754/4885DHODH 4407/4885
US-10577332-B2 Tetrazole derivatives MC2R, MC3R, GABRR3 P2RY14 3175/4885LMNA 4726/4885DHODH 1809/4885
US-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 P2RY14 14/4885LMNA 4007/4885DHODH 3525/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 P2RY14 20/4885LMNA 3750/4885DHODH 4421/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RY14 3175/4885LMNA 4726/4885DHODH 1809/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 P2RY14 14/4885LMNA 3928/4885DHODH 3436/4885

“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.