SCHEMBL6806001

SCHEMBL6806001

COc1ccc(S(=O)(=O)c2ccc(CC(C)NC(=O)C(F)(F)F)cc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.45
NAMPT P43490 3/20 0.44
CNR1 P21554 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL6540590 1.00 ACACB (0.45) ACACBNAMPTCNR1KMT2AALDH1A1
SCHEMBL6541205 0.89 ABCB11 (0.38) ACACBNAMPTCNR1ALDH1A1PDK1
SCHEMBL6800035 0.89 ABCB11 (0.38) ACACBNAMPTCNR1ALDH1A1PDK1
SCHEMBL6541239 0.88 CNR1 (0.44) ACACBNAMPTCNR1ALDH1A1TAS1R3
SCHEMBL6540840 0.88 NAMPT (0.45) ACACBNAMPTCNR1KMT2A
SCHEMBL6539930 0.88 PTPN1 (0.45) ALDH1A1CYP2C19TSHR
SCHEMBL6810020 0.86 ABCB11 (0.41) ACACBCNR1PDK1PDK2PDK3
SCHEMBL6540648 0.86 ABCB11 (0.41) ACACBCNR1PDK1PDK2PDK3
SCHEMBL6541208 0.83 CNR1 (0.56) ACACBCNR1ALDH1A1
SCHEMBL6540898 0.82 ABCC9 (0.57) ACACBNAMPTCNR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 ACACB 1800/4885NAMPT 4825/4885CNR1 112/4885

“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.