SCHEMBL16377952

SCHEMBL16377952

COc1cc2c(cc1CC(C)C)-c1c(c(C(=O)NCCN3CCOC3=O)nn1-c1ccsc1)CO2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ PLAT P00750 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ ACKR3 P25106 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL16377945 0.88 RAD52 (0.35) MAPTRAD52TP53
SCHEMBL22626614 0.88 ACKR3 (0.32) MAPTRAD52ACKR3TP53
SCHEMBL16377724 0.87 RAD52 (0.33) CCR5POLBKDM4EMAPTALDH1A1
SCHEMBL16377983 0.86 RAD52 (0.34) MAPTRAD52TP53
SCHEMBL17789708 0.86 — —
SCHEMBL16377802 0.86 ROCK2 (0.38) —
SCHEMBL24519333 0.85 — —
SCHEMBL17783251 0.85 RORC (0.31) MAPTALDH1A1RAD52
SCHEMBL22626611 0.84 RAD52 (0.32) KDM4EMAPTRAD52ACKR3KMT2A
SCHEMBL16377978 0.84 KMT2A (0.34) CCR5KDM4EALDH1A1RAD52ACKR3

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 5 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
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP 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 (2 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 CCR5 2628/4885POLB 4261/4885KDM4E 2303/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR CCR5 2628/4885POLB 4261/4885KDM4E 2303/4885

“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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