SCHEMBL15328170

SCHEMBL15328170

COc1ccc([C]=O)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 8/20 0.44
CYP1A2 P05177 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CYP2A6 P11509 1/20 0.38
AMY1A P0DUB6 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ERN1 O75460 1/20 0.37

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
SCHEMBL6212996 0.84 CPS1 (0.40) CPS1CYP1A2CYP1A1CYP1B1CA12
SCHEMBL11508000 0.81 CA12 (0.43) CYP1A2CA12CA1CA2CA7
SCHEMBL2539990 0.80 CYP11B1 (0.58) CYP11B1CYP11B2
SCHEMBL29641932 0.80 CYP1A2 (0.42) CPS1CYP1A2CYP1A1CYP1B1CYP11B1
SCHEMBL2720566 0.80 CYP1A2 (0.42) CPS1CYP1A2CYP1A1CYP1B1CYP11B1
SCHEMBL2704176 0.78 ACACB (0.43) CYP1A2CA12CA1CA2CA7
SCHEMBL96290 0.78 CA12 (0.56) CYP1A2CYP1A1CYP1B1CA12CA1
SCHEMBL15226652 0.76 ACACB (0.43) CYP1A2CA12CA1CA2CA7
SCHEMBL910364 0.76 NPC1 (0.53) CYP1A2CYP1A1CYP1B1ERN1
SCHEMBL4056724 0.76 CYP3A4 (0.50) CPS1CYP1A2CYP1A1CYP1B1CA12

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
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN claimed
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN disclosed
US-8946282-B2 Indolin-2-one derivatives as protein kinase inhibitors Annji Pharmaceutical Co., Ltd. (TW) 2015-02-03 US disclosed
US-20130281451-A1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS Annji Pharmaceutical Co., Ltd. (TW) 2013-10-24 US disclosed
CN-102083821-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-06-01 CN 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-20130281451-A1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS ING2, CDK2, MAP3K20 CPS1 3512/4885CYP1A2 3239/4885CYP1A1 2958/4885

“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.