SCHEMBL10003038

SCHEMBL10003038

COC(=O)c1cc2ccc(-c3cc(C(F)(F)F)ccn3)cc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 4/20 0.45
▸ NOD1 Q9Y239 4/20 0.45
▸ RORC P51449 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ SYK P43405 5/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ SDHB P21912 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11905100 0.88 NOD2 (0.45) NOD2NOD1RORCALDH1A1MAPT
SCHEMBL10003680 0.84 NOD2 (0.38) NOD2NOD1RORCALDH1A1MAPT
SCHEMBL10004947 0.84 NOD1 (0.53) NOD2NOD1ALDH1A1MAPTKDM4E
SCHEMBL10003289 0.84 NOD1 (0.48) NOD2NOD1RORCALDH1A1MAPT
SCHEMBL10004859 0.81 NOD2 (0.46) NOD2NOD1ALOX5
SCHEMBL10004129 0.81 NOD2 (0.48) NOD2NOD1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10003349 0.81 RORC (0.36) NOD2NOD1RORCALDH1A1MAPT
SCHEMBL10003351 0.81 RORC (0.36) NOD2NOD1RORCALDH1A1MAPT
SCHEMBL10004196 0.80 NOD1 (0.50) NOD2NOD1ALDH1A1MAPTKDM4E
SCHEMBL10003895 0.79 NOD2 (0.48) NOD2NOD1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 — — EP disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 — — EP 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 (2 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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 NOD2 2641/4885NOD1 1738/4885RORC 2995/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 NOD2 2443/4885NOD1 1110/4885RORC 3383/4885

“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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