SCHEMBL3191471

SCHEMBL3191471

N#Cc1ccc(C(F)F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 17/20 0.57
▸ CYP11B1 P15538 16/20 0.57
▸ TRPV4 Q9HBA0 2/20 0.53
▸ S1PR3 Q99500 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
SCHEMBL104710 0.86 TRPV4 (0.52) CYP11B2CYP11B1TRPV4S1PR3
SCHEMBL30892077 0.83 CYP11B1 (0.45) CYP11B2CYP11B1TRPV4S1PR3
SCHEMBL2824439 0.83 CYP11B1 (0.45) CYP11B2CYP11B1TRPV4S1PR3
SCHEMBL20487060 0.82 TRPV4 (0.48) CYP11B2CYP11B1TRPV4S1PR3
SCHEMBL20656656 0.82 TRPV4 (0.48) CYP11B2CYP11B1TRPV4S1PR3
SCHEMBL16649615 0.82 TRPV4 (0.48) CYP11B2CYP11B1TRPV4S1PR3
SCHEMBL30408582 0.82 CYP11B1 (0.60) CYP11B2CYP11B1TRPV4S1PR3
SCHEMBL22495734 0.82 TRPV4 (0.48) CYP11B2CYP11B1TRPV4S1PR3
SCHEMBL28802774 0.82 TRPV4 (0.48) CYP11B2CYP11B1TRPV4S1PR3
SCHEMBL16956909 0.82 TRPV4 (0.48) CYP11B2CYP11B1TRPV4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND SHOUYAO HOLDINGS BEIJING CO LTD (CN) 2025-07-10 — — US disclosed
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 — — EP disclosed
CN-118475560-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2024-08-09 — — CN disclosed
WO-2023185811-A1 NOVEL HETEROCYCLIC COMPOUND 首药控股(北京)股份有限公司 2023-10-05 — — WO disclosed
US-11358972-B2 Pentacyclic heterocycles EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-06-14 — — US disclosed
EP-3936190-A1 PENTACYCLIC HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2022-01-12 — — EP disclosed
US-20200283452-A1 PENTACYCLIC HETEROCYCLES EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-09-10 — — US disclosed
CN-104016940-A GW501516 synthetic method BAIYIN BOTONG BIOCHEMISTRY CO LTD 2014-09-03 — — CN disclosed
US-20100022596-A1 EPOTHILONE ANALOGUES ALTMANN KARL-HEINZ 2010-01-28 — — US disclosed
EP-2094713-A1 EPOTHILONE ANALOGUES MODIFIED AT POSITIONS C12-C13 AS ANTICANCER DRUGS Novartis Ag (CH) 2009-09-02 — — EP disclosed
WO-2008071404-A1 EPOTHILONE ANALOGUES MODIFIED AT POSITIONS C12-C13 AS ANTICANCER DRUGS NOVARTIS AG (CH) 2008-06-19 — — 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-11358972-B2 Pentacyclic heterocycles CYP2C19, CYP2C18, XDH CYP11B2 35/4885CYP11B1 42/4885TRPV4 2428/4885
US-20100022596-A1 EPOTHILONE ANALOGUES EPOR, CYP11B2, DHPS CYP11B2 2/4885CYP11B1 5/4885TRPV4 4800/4885
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND MAPT, MNAT1, MAT2A CYP11B2 9/4885CYP11B1 48/4885TRPV4 2728/4885
US-20200283452-A1 PENTACYCLIC HETEROCYCLES CYP2C19, CYP2C18, XDH CYP11B2 35/4885CYP11B1 42/4885TRPV4 2428/4885

“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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