SCHEMBL19377240

SCHEMBL19377240

COc1ccc(C(C)NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc4[nH]ccc4c3)cc2)c(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.45
▸ LMNA P02545 5/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ OGT O15294 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL19377241 1.00 ESR1 (0.45) ESR1LMNAMAPK1HTTALOX15
SCHEMBL19377164 0.85 IDH1 (0.45) ESR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19377163 0.85 IDH1 (0.45) ESR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19377324 0.83 ALDH1A1 (0.51) LMNAMAPK1HTTALOX15SMN1; SMN2
SCHEMBL19377323 0.83 ALDH1A1 (0.51) LMNAMAPK1HTTALOX15SMN1; SMN2
SCHEMBL19377106 0.83 GPR27 (0.56) LMNASMN1; SMN2ALDH1A1AVPR2GPR27
SCHEMBL19377105 0.83 GPR27 (0.56) LMNASMN1; SMN2ALDH1A1AVPR2GPR27
SCHEMBL19377482 0.81 NAMPT (0.39) ESR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19377479 0.81 NAMPT (0.39) ESR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19377509 0.79 PNMT (0.43) LMNAMAPK1HTTALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2017-09-28 — — US claimed
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2017-09-28 — — 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-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof UTS2R, GHSR, GRPR ESR1 87/4885LMNA 3798/4885MAPK1 4001/4885

“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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