SCHEMBL967785

SCHEMBL967785

CCCC(=O)N(C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 4/20 0.50
▸ TACR1 P25103 1/20 0.49
▸ LTB4R2 Q9NPC1 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MCHR1 Q99705 1/20 0.45
▸ HSD17B1 P14061 1/20 0.45
▸ HSD17B2 P37059 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL11402034 0.85 POLQ (0.52) POLQTACR1ALDH1A1POLBALOX15
SCHEMBL14955365 0.84 POLQ (0.51) POLQTACR1ALDH1A1POLBALOX15
SCHEMBL9357893 0.81 LMNA (0.57) POLQTACR1LTB4R2ALDH1A1ALOX15
SCHEMBL28746573 0.80 LTB4R2 (0.47) LTB4R2ALDH1A1TP53
SCHEMBL28141847 0.80 TP53 (0.50) POLQTACR1ALDH1A1POLBHSD17B1
SCHEMBL11174926 0.80 TACR1 (0.50) POLQTACR1ALDH1A1POLBHSD17B1
SCHEMBL23222221 0.78 ALDH1A1 (0.51) ALDH1A1POLBHSD17B1HSD17B2TP53
SCHEMBL8601016 0.78 TP53 (0.49) POLQTACR1ALDH1A1POLBHSD17B1
SCHEMBL10943479 0.78 TP53 (0.49) POLQTACR1ALDH1A1POLBHSD17B1
SCHEMBL15979067 0.77 HTR3E (0.53) POLQLTB4R2ALDH1A1HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539121-A A novel, photo-promoted process for the preparation of sulfonates and sulfonamides from sulfonyl chlorides 天津师范大学 2022-05-27 — — CN disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — 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 (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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR POLQ 2689/4885TACR1 2751/4885LTB4R2 3086/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR POLQ 2689/4885TACR1 2751/4885LTB4R2 3086/4885

“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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