SCHEMBL2615262

SCHEMBL2615262

Cc1cccc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.60
▸ KDM1A O60341 2/20 0.56
▸ LMNA P02545 1/20 0.52
▸ IDO1 P14902 1/20 0.51
▸ KMO O15229 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ CCR1 P32246 1/20 0.50
▸ CCR8 P51685 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ GABRA1 P14867 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ GABRG2 P18507 1/20 0.50
▸ GABRB3 P28472 1/20 0.50
▸ GABRA5 P31644 1/20 0.50
▸ GABRA3 P34903 1/20 0.50
▸ GABRA2 P47869 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL17207482 0.88 CCR1 (0.52) CTSSKDM1ALMNAKMOCCR1
SCHEMBL2615265 0.82 CCR1 (0.54) CCR1CCR8CYP2A6
SCHEMBL2614939 0.82 IDO1 (0.51) CTSSKDM1AIDO1KMOALDH1A1
SCHEMBL18758860 0.82 CYP2A6 (0.53) CTSSKDM1ALMNAIDO1CCR1
SCHEMBL19865072 0.81 KDM1A (0.62) CTSSKDM1ALMNAIDO1KMO
SCHEMBL11990860 0.81 CCR1 (0.68) CCR1CCR8CYP2A6
SCHEMBL4936538 0.81 CCR1 (0.44) CTSSKDM1ACCR1CCR8XDH
SCHEMBL9971080 0.80 CTSS (0.57) CTSSKDM1ALMNAIDO1KMO
SCHEMBL14616445 0.79 CTSS (0.50) CTSSKDM1ALMNAIDO1KMO
SCHEMBL6256565 0.79 CTSS (0.60) CTSSKDM1ALMNAIDO1KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912218-B2 Alkylthiazol carbamate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-12-16 — — US disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 — — US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 — — US disclosed
US-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-09-01 — — US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 — — US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 — — 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-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MET, ALK, REL CTSS 1439/4885KDM1A 1353/4885LMNA 3832/4885
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 CTSS 2690/4885KDM1A 1205/4885LMNA 3384/4885

“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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