Sugi Predict

Sugi Predict / Compounds / SCHEMBL1725217

SCHEMBL1725217

SCHEMBL1725217

Cc1cc(N(C)C)cc(F)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.40
▸ ACHE P22303 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ RORC P51449 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ NOTUM Q6P988 1/20 0.33
▸ LDHA P00338 1/20 0.33
▸ LDHB P07195 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL20773081 0.88 ALDH1A1 (0.41) CYP3A4ACHEALDH1A1MAPK1MEN1
SCHEMBL1724884 0.84 POLB (0.40) ALDH1A1MEN1KMT2AKDM4ERORC
SCHEMBL17831135 0.76 KDM4E (0.48) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL18006755 0.76 HPGD (0.37) CYP3A4ALDH1A1MAPK1MEN1KMT2A
SCHEMBL27101128 0.76 CYP3A4 (0.45) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL1726198 0.76 POLB (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL30863764 0.74 CYP3A4 (0.38) CYP3A4ACHEALDH1A1MAPK1MEN1
SCHEMBL21000330 0.73 CYP3A4 (0.42) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL29803911 0.73 CYP3A4 (0.42) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL1727042 0.73 CYP3A4 (0.42) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 — — EP disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 — — US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 — — US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 — — US disclosed
CN-102341383-A Inhibitors of Bruton's Tyrosine Kinase HOFFMANN LA ROCHE 2012-02-01 — — CN disclosed
EP-2403846-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-01-11 — — EP disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 — — WO disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 — — US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 — — US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 — — 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-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN CYP3A4 3297/4885ACHE 3388/4885ALDH1A1 4625/4885

“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.