SCHEMBL22913779

SCHEMBL22913779

COc1ccc(Cn2cc3c(F)cc(CC(=O)O)cc3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
PMP22 Q01453 2/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
POLB P06746 1/20 0.41
ADORA3 P0DMS8 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CHRM1 P11229 1/20 0.40

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
SCHEMBL22912916 0.81 MEN1 (0.45) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL22912925 0.80 PARK7 (0.41) KDM4ELMNAKMT2AMEN1NPC1
SCHEMBL22913544 0.79 CACNA1G (0.43) PTGS1AKR1C3AKR1C2KDM4ELMNA
SCHEMBL27786370 0.77 CACNA1G (0.46) LMNACACNA1GCACNA1HCACNA1IADORA3
SCHEMBL22913774 0.76 PDE1A (0.50) PTGS1AKR1C3AKR1C2KDM4ELMNA
SCHEMBL23448671 0.74 PTGER4 (0.44) CACNA1GCACNA1HCACNA1IPOLBADORA3
SCHEMBL3125465 0.72 KMT2A (0.53) KDM4ELMNABLMCACNA1GCACNA1H
SCHEMBL23448681 0.71 ALDH1A1 (0.47) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7977921 0.70 KDM4E (0.50) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23833395 0.70 CACNA1G (0.58) PTGS1AKR1C3AKR1C2KDM4ECACNA1G

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
CN-114929683-B Pyridine derivatives as modulators of calcium activated chloride channels 跨膜蛋白16A有限公司 2024-09-03 CN disclosed
US-20220144803-A1 PYRIDINE DERIVATIVES AS CALCIUM-ACTIVATED CHLORIDE CHANNEL MODULATORS Enterprise Therapeutics Limited (GB) 2022-05-12 US disclosed
WO-2021014172-A1 PYRIDINE DERIVATIVES AS CALCIUM-ACTIVATED CHLORIDE CHANNEL MODULATORS Enterprise Therapeutics Limited (GB) 2021-01-28 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 (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-20220144803-A1 PYRIDINE DERIVATIVES AS CALCIUM-ACTIVATED CHLORIDE CHANNEL MODULATORS TMEM109, CACNA1E, CACNA1A PTGS1 1252/4885AKR1C3 2030/4885AKR1C2 2400/4885

“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.