SCHEMBL6540374

SCHEMBL6540374

CC(C)(Cc1ccc(S(=O)(=O)c2cccc(C(=O)O)c2)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.42
SFRP1 Q8N474 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABCC9 O60706 6/20 0.41
ABCC8 Q09428 6/20 0.41
KCNJ11 Q14654 6/20 0.41
KCNJ8 Q15842 6/20 0.41
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CXCR2 P25025 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6540818 0.81 MEN1 (0.46) KMT2AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6540519 0.80 MAPK1 (0.47) AKR1C3KMT2AMAPK1TDP1CYP2C19
SCHEMBL6540097 0.79 CYP2C9 (0.40) CYP2C19CYP1A2CYP3A4POLB
SCHEMBL6541332 0.78 CXCR2 (0.39) KMT2AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6540139 0.78 HSD11B1 (0.50) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6539832 0.76 ALDH1A1 (0.57) KMT2A
SCHEMBL6540200 0.76 KMT2A (0.46) KMT2AMEN1CYP1A2CYP3A4POLB
SCHEMBL6540103 0.76 ALDH1A1 (0.41) KMT2ACYP2C19MEN1CYP3A4TSHR
SCHEMBL6330677 0.75 CYP3A4 (0.64) MAPK1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL5581691 0.74 MAPT (0.60) AKR1C3CYP2C19TSHRPOLB

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 AKR1C3 246/4885SFRP1 4764/4885KMT2A 432/4885

“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.