SCHEMBL16377792

SCHEMBL16377792

COc1cc2c(cc1S(=O)(=O)C1CC1)-c1c(c(C(=O)O)nn1-c1ccsc1)CO2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ PIK3CD O00329 3/20 0.32
▸ PIK3R2 O00459 3/20 0.32
▸ PIK3CA P42336 3/20 0.32
▸ PIK3CB P42338 3/20 0.32
▸ PIK3CG P48736 3/20 0.32
▸ PIK3R5 Q8WYR1 3/20 0.32
▸ PIK3R3 Q92569 3/20 0.32

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
SCHEMBL17783243 0.89 CCNA2 (0.35) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL16340545 0.88 CCNA2 (0.35) CCNA2CDK2CCNA1
SCHEMBL16339510 0.87 CCNA2 (0.34) CCNA2CDK2CCNA1
SCHEMBL16333638 0.86 CCNA2 (0.39) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL16377805 0.85 PIK3CD (0.35) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16333930 0.84 CCNA2 (0.37) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL16377823 0.84 CCNA2 (0.37) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL16377700 0.83 CCNA2 (0.37) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL16333609 0.83 CCNA2 (0.39) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL29670696 0.82 CCNA2 (0.36) CCNA2CDK2CCNA1PIK3CDPIK3R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 — — US disclosed
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 — — US disclosed
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2018-12-13 — — US disclosed
US-10081637-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2018-09-25 — — US disclosed
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 — — US disclosed
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 — — US disclosed
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 — — US disclosed
WO-2014209980-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2014-12-31 — — 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 (4 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-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR CCNA2 4041/4885CDK2 602/4885CCNA1 3826/4885
US-10081637-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR CCNA2 4041/4885CDK2 602/4885CCNA1 3826/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR CCNA2 4041/4885CDK2 602/4885CCNA1 3826/4885
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR CCNA2 4041/4885CDK2 602/4885CCNA1 3826/4885

“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.

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