SCHEMBL6540265

SCHEMBL6540265

COc1c(C)cc(S(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)cc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.45
MTNR1A P48039 4/20 0.43
MTNR1B P49286 3/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
NQO2 P16083 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
SCHEMBL6539542 0.88 TSHR (0.47) USP2LMNACA1CA2ALDH1A1
SCHEMBL6540407 0.84 CA1 (0.47) CA1CA2ALDH1A1CA12CA9
SCHEMBL6540576 0.84 USP2 (0.41) USP2LMNAMTNR1AMTNR1BCA1
SCHEMBL6540191 0.82 PTPN1 (0.47) ALDH1A1
SCHEMBL6554075 0.81 KMT2A (0.45) LMNACA1CA2ALDH1A1TSHR
SCHEMBL6677132 0.81 HTT (0.42) NAMPTALDH1A1
SCHEMBL6544777 0.81 NAMPT (0.48) NAMPTUSP2CA1CA2TSHR
SCHEMBL6541135 0.81 TSHR (0.50) USP2LMNACA1CA2ALDH1A1
SCHEMBL6540879 0.81 USP2 (0.47) USP2LMNAMTNR1AMTNR1BCA1
SCHEMBL6541242 0.81 CA1 (0.40) USP2MTNR1AMTNR1BCA1CA2

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 NAMPT 4409/4885USP2 2077/4885LMNA 3736/4885

“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.