SCHEMBL6540097

SCHEMBL6540097

CC(C)(Cc1ccc(Sc2cccc(C(=O)O)c2)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
APEX1 P27695 1/20 0.39
ENPP2 Q13822 3/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
MMP2 P08253 2/20 0.35
MMP13 P45452 2/20 0.35
MMP1 P03956 1/20 0.34
MMP8 P22894 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
SCHEMBL6539524 0.80 MEN1 (0.47) CYP2C9ALDH1A1CYP3A4CYP2C19POLB
SCHEMBL6540374 0.79 AKR1C3 (0.42) CYP1A2CYP3A4CYP2C19POLB
SCHEMBL6330677 0.76 CYP3A4 (0.64) CYP2C9CYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL14256455 0.72 CYP1A2 (0.54) CYP2C9HPGDCYP1A2HSD17B10APEX1
SCHEMBL6331086 0.72 KMT2A (0.46) CYP2C9HPGDHSD17B10ALDH1A1CYP3A4
SCHEMBL6676768 0.71 ADRB1 (0.43) CYP2C9ALDH1A1NPC1POLBRAB9A
SCHEMBL6676771 0.71 ADRB1 (0.43) CYP2C9ALDH1A1NPC1POLBRAB9A
SCHEMBL1447749 0.71 HPGD (0.66) CYP2C9HPGDCYP1A2HSD17B10ALDH1A1
SCHEMBL6778027 0.71 HPGD (0.70) CYP2C9HPGDCYP1A2HSD17B10ALDH1A1
SCHEMBL2406839 0.71 CYP1A2 (0.76) CYP2C9HPGDCYP1A2HSD17B10APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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 (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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 CYP2C9 3959/4885HPGD 1299/4885CYP1A2 1436/4885

“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.