SCHEMBL1347587

SCHEMBL1347587

CCOc1cc(C(=O)O)ccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
POLB P06746 1/20 0.52
CASP6 P55212 1/20 0.52
RXRA P19793 4/20 0.50
MRGPRX4 Q96LA9 3/20 0.50
RXRB P28702 3/20 0.50
RXRG P48443 3/20 0.50
PLA2G2D Q9UNK4 1/20 0.47
LMNA P02545 1/20 0.47
HNF4A P41235 1/20 0.46
SRD5A2 P31213 1/20 0.45
GAA P10253 1/20 0.45
TTR P02766 1/20 0.45
PPARD Q03181 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45

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
SCHEMBL312486 0.88 CREBBP (0.56) TSHRRXRARXRBRXRGMAPK1
SCHEMBL1402196 0.88 TSHR (0.60) TSHRPOLBCASP6RXRAMRGPRX4
SCHEMBL5213309 0.86 TSHR (0.62) TSHRPOLBCASP6RXRAMRGPRX4
SCHEMBL312800 0.86 L3MBTL1 (0.53) TSHRRXRAMRGPRX4RXRBRXRG
SCHEMBL25789823 0.85 PLA2G2D (0.65) TSHRPLA2G2D
SCHEMBL25860219 0.85 HSD17B2 (0.52) TSHRRXRARXRBRXRGLMNA
SCHEMBL24214079 0.84 HTT (0.51) TSHRPOLBCASP6RXRAMRGPRX4
SCHEMBL13434198 0.82 MRGPRX4 (0.49) TSHRPOLBCASP6RXRAMRGPRX4
SCHEMBL1346578 0.82 PLOD2 (0.49) TSHRRXRARXRBRXRGPLA2G2D
SCHEMBL536554 0.82 TSHR (0.51) TSHRPOLBCASP6RXRAMRGPRX4

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-11-16 US disclosed
US-11708334-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-25 US disclosed
US-11708334-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-25 US disclosed
US-11702391-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-18 US disclosed
US-20230051130-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-02-16 US disclosed
US-8063048-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2010-08-19 US disclosed
US-7718661-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-05-18 US disclosed
EP-1863818-B1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-03-10 EP disclosed
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2008-12-04 US disclosed
US-7446113-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-04 US disclosed
EP-1863818-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 EP disclosed
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives MCARTHUR SILVIA G 2007-07-19 US disclosed
US-7238808-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-07-03 US disclosed
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-09-28 US disclosed
WO-2006099972-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 WO 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-11708334-B2 Inhibitors of NLRP3 inflammasome NLRP3, NLRP1, PYCARD TSHR 4615/4885POLB 2747/4885CASP6 23/4885
US-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 TSHR 1237/4885POLB 1271/4885CASP6 3967/4885
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 TSHR 1237/4885POLB 1271/4885CASP6 3967/4885
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 TSHR 1237/4885POLB 1271/4885CASP6 3967/4885
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, ADORA2B, TPMT TSHR 1244/4885POLB 1267/4885CASP6 4138/4885
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 TSHR 4549/4885POLB 2125/4885CASP6 32/4885
US-11702391-B2 Inhibitors of NLRP3 inflammasome NLRP3, CASP1, PYCARD TSHR 4572/4885POLB 2241/4885CASP6 28/4885
US-20230051130-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 TSHR 4549/4885POLB 2125/4885CASP6 32/4885
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 TSHR 4549/4885POLB 2125/4885CASP6 32/4885

“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.