SCHEMBL16879474

SCHEMBL16879474

N#Cc1ccc(Cn2cnc3ccccc32)cc1-c1ccc(OS(N)(=O)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 12/20 0.63
▸ STS P08842 11/20 0.63
▸ CA2 P00918 1/20 0.47
▸ CYP11B1 P15538 2/20 0.46
▸ CYP11B2 P19099 2/20 0.46
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ AGTR2 P50052 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GRM2 Q14416 1/20 0.44
▸ CSF1R P07333 1/20 0.43

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
SCHEMBL16879886 0.88 CYP19A1 (0.60) CYP19A1STSCA2
SCHEMBL16879973 0.88 CYP19A1 (0.60) CYP19A1STSCA2AGTR2GRM2
SCHEMBL16879639 0.86 CSF1R (0.59) CYP19A1STSCYP11B1CYP11B2LMNA
SCHEMBL16879836 0.86 CYP19A1 (0.50) CYP19A1STSCA2CYP11B1CYP11B2
SCHEMBL16879690 0.86 STS (0.48) CYP19A1STSCYP11B1CYP11B2LMNA
SCHEMBL16879845 0.83 CYP19A1 (0.60) CYP19A1STSCA2GRM2
SCHEMBL16879754 0.81 CYP11B1 (0.51) CYP19A1CYP11B1CYP11B2LMNAHTT
SCHEMBL16879469 0.81 CYP19A1 (0.58) CYP19A1STSCA2AGTR2GRM2
SCHEMBL16879687 0.81 CYP19A1 (0.43) CYP19A1STSCYP11B1CYP11B2LMNA
SCHEMBL16879648 0.80 CYP19A1 (0.41) CYP19A1STSCYP11B1CYP11B2LMNA

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
EP-3089966-B1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE ESTRYX PHARMA LTD (GB) 2020-10-21 — — EP disclosed
US-9682941-B2 Substituted biphenyl analogues as dual inhibitors of aromatase and sulfatase ESTRYX PHARMA LIMITED (GB) 2017-06-20 — — US disclosed
US-20170001964-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE BEAUFOUR IPSEN TIANJIN PHARMACEUTICAL CO., LTD (CN) 2017-01-05 — — US disclosed
EP-3089966-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE Beaufour Ipsen Tianjin Pharmaceutical Co., Ltd (CN) 2016-11-09 — — EP disclosed
WO-2015100609-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE BEAUFOUR IPSEN TIANJIN PHARMACEUTICAL CO., LTD (CN) 2015-07-09 — — 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-20170001964-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE CYP19A1, SULT2A1, STS CYP19A1 1/4885STS 3/4885CA2 908/4885

“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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