SCHEMBL13437709

SCHEMBL13437709

O=CCc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.53
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.38
▸ CES2 O00748 2/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ DAO P14920 1/20 0.37
▸ PDE2A O00408 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KIF11 P52732 1/20 0.34

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
SCHEMBL1426705 0.85 IDO1 (0.53) IDO1CES2BACE1DAOPDE2A
SCHEMBL6864791 0.83 CES2 (0.47) IDO1CES2CYP2D6DAOCYP3A4
SCHEMBL8226170 0.82 IDO1 (0.54) IDO1CA1CA2CA9USP30
SCHEMBL6443956 0.80 DAO (0.39) IDO1CES2CYP2D6DAOPDE2A
SCHEMBL3408206 0.80 CES2 (0.37) IDO1CES2CYP2D6DAOCYP3A4
SCHEMBL2316538 0.80 MEN1 (0.41) IDO1CES2BACE1CYP2C9DAO
SCHEMBL3120442 0.80 ALDH1A1 (0.40) DAOPDE2ACYP3A4MEN1TSHR
SCHEMBL1745725 0.80 MEN1 (0.45) CES2CYP2D6CYP2C9POLBCYP3A4
SCHEMBL27634850 0.79 IDO1 (0.58) IDO1CA1CA2CA9USP30
SCHEMBL8189407 0.79 IDO1 (0.58) IDO1CA1CA2CA9USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3759098-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS Genentech, Inc. (US) 2021-01-06 — — EP disclosed
WO-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 — — WO disclosed
WO-2018148626-A1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-08-16 — — WO disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 — — EP disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 — — WO disclosed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 — — US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 — — US 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 IDO1 1680/4885CA1 3501/4885CA2 1045/4885

“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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