SCHEMBL17442587

SCHEMBL17442587

C=Cc1cnc2ccc(S(C)(=O)=O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.37
▸ NPBWR1 P48145 1/20 0.37
▸ CBFB Q13951 1/20 0.36
▸ KLKB1 P03952 2/20 0.36
▸ MAP4K1 Q92918 2/20 0.36
▸ SCD O00767 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ ACP1 P24666 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 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
SCHEMBL17442805 0.86 NPBWR1 (0.38) NPBWR1CBFBKLKB1MAP4K1SCD
SCHEMBL16289803 0.80 NPBWR1 (0.39) NPBWR1CBFBKLKB1MAP4K1SCD
SCHEMBL16289805 0.78 CYP1A2 (0.50) NPBWR1CBFBKLKB1MAP4K1SCD
SCHEMBL17442549 0.76 ALPL (0.39) NPBWR1CBFBSCDKDM4EALDH1A1
SCHEMBL17442807 0.76 KLKB1 (0.42) NPBWR1CBFBKLKB1MAP4K1KDM4E
SCHEMBL17442808 0.76 KLKB1 (0.45) KLKB1MAP4K1SCDALDH1A1ACP1
SCHEMBL23247995 0.73 ENPP2 (0.50) NPBWR1CBFBKLKB1MAP4K1SCD
SCHEMBL28056994 0.70 HTR7 (0.42) SCDALPLKMT2A
SCHEMBL18371238 0.70 PDGFRB (0.37) PARP1KDM4ERAB9AKMT2APDGFRB
SCHEMBL18371140 0.70 PARP1 (0.39) PARP1CBFBKLKB1MAP4K1KDM4E

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 — — US disclosed
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 — — US disclosed
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 — — EP disclosed
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 — — EP disclosed
CN-107072985-B Therapeutic inhibiting compounds 莱福斯希医药公司 2020-02-07 — — CN disclosed
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 — — US disclosed
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 — — US disclosed
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 — — US disclosed
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 — — US disclosed
US-10308637-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-06-04 — — US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 — — US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 — — US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 — — US disclosed
WO-2017001924-A1 THERAPEUTIC INHIBITORY COMPOUDS LIFESCI PHARMACEUTICALS, INC. (BB) 2017-01-05 — — WO disclosed
WO-2017001924-A1 THERAPEUTIC INHIBITORY COMPOUDS LIFESCI PHARMACEUTICALS, INC. (BB) 2017-01-05 — — WO disclosed
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2016-07-14 — — US disclosed
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2016-07-14 — — US disclosed
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2016-07-14 — — US disclosed
WO-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 — — WO disclosed
WO-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 — — 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 (6 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-10308637-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 PARP1 1139/4885NPBWR1 1924/4885CBFB 2223/4885
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PARP1 1139/4885NPBWR1 1924/4885CBFB 2223/4885
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PARP1 1139/4885NPBWR1 1924/4885CBFB 2223/4885
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PARP1 1139/4885NPBWR1 1924/4885CBFB 2223/4885
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PARP1 1139/4885NPBWR1 1924/4885CBFB 2223/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 PARP1 1139/4885NPBWR1 1924/4885CBFB 2223/4885

“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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