SCHEMBL19377138

SCHEMBL19377138

C[C@H](NC(=O)Nc1ccc(S(=O)(=O)Cc2ccc3c(c2)CCN(Cc2ccccc2)C3)cc1)c1cccc(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.45
▸ ACACB O00763 13/20 0.45
▸ NOD1 Q9Y239 5/20 0.44
▸ TNF P01375 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ S1PR2 O95136 1/20 0.42
▸ NOD2 Q9HC29 1/20 0.41

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
SCHEMBL19377139 1.00 ABCB1 (0.45) ABCB1ACACBNOD1TNFSMN1; SMN2
SCHEMBL19406930 0.93 ABCB1 (0.44) ABCB1ACACBNOD1TNFSMN1; SMN2
SCHEMBL19377057 0.89 KCNA1 (0.38) ACACBSMN1; SMN2LMNAKMT2AMAPT
SCHEMBL19377185 0.89 ROCK2 (0.43) ACACBNOD1TNFSMN1; SMN2LMNA
SCHEMBL19377186 0.89 ROCK2 (0.43) ACACBNOD1TNFSMN1; SMN2LMNA
SCHEMBL19377340 0.89 ROCK2 (0.43) ACACBNOD1TNFSMN1; SMN2LMNA
SCHEMBL19377013 0.88 ACACB (0.39) ABCB1ACACBNOD1TNFSMN1; SMN2
SCHEMBL19377012 0.88 ACACB (0.39) ABCB1ACACBNOD1TNFSMN1; SMN2
SCHEMBL19398854 0.86 NPC1 (0.42) SMN1; SMN2LMNAHPGDKMT2AMAPT
SCHEMBL19406928 0.85 RORC (0.40) SMN1; SMN2LMNAKMT2AMAPTMEN1

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 5 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
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2017-09-28 — — US disclosed
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2017-09-28 — — US disclosed
WO-2017162390-A1 BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2017-09-28 — — 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-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof UTS2R, GHSR, GRPR ABCB1 1573/4885ACACB 2049/4885NOD1 2407/4885

“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.

Send feedback