SCHEMBL12725005

SCHEMBL12725005

COc1cc(C(C)(C)C)cc(F)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.41
SQOR Q9Y6N5 2/20 0.38
TRPV4 Q9HBA0 1/20 0.37
KDM4E B2RXH2 5/20 0.35
EGFR P00533 1/20 0.35
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
GBA1 P04062 1/20 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
SCHEMBL24407385 0.87 KDM4E (0.40) CACNA1HSQORKDM4EEGFRALDH1A1
SCHEMBL12724952 0.83 TRPV4 (0.52) SQORTRPV4KDM4EALDH1A1LMNA
SCHEMBL18305601 0.79 ALDH1A1 (0.38) CACNA1HSQORKDM4EALDH1A1CYP1A2
SCHEMBL17992 0.78 TRPV4 (0.42) SQORTRPV4KDM4EALDH1A1LMNA
SCHEMBL13208392 0.76 TUBB1 (0.38) CACNA1HCYP3A4LMNAHPGDMAPK1
SCHEMBL19616996 0.75 CACNA1H (0.40) CACNA1HALDH1A1
SCHEMBL25564462 0.75 CYP3A4 (0.45) TRPV4KDM4EEGFRALDH1A1CYP1A2
SCHEMBL1629238 0.75 TRPV4 (0.39) CACNA1HSQORTRPV4KDM4EALDH1A1
SCHEMBL420880 0.74 KDM4E (0.42) KDM4EALDH1A1PGRMAPTGLA
SCHEMBL19504309 0.74 FGFR2 (0.33) CYP3A4LMNAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors ELI LILLY AND COMPANY 2009-03-12 US disclosed
WO-2007087488-A2 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-02 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 (1 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-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors PGR, NPSR1, PRLHR CACNA1H 2073/4885SQOR 654/4885TRPV4 793/4885

“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.