SCHEMBL19377098

SCHEMBL19377098

COc1ccc([C@H](C)NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc4c(c3)CCN(C)C4)cc2)c(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.49
▸ DRD3 P35462 9/20 0.49
▸ HTR6 P50406 9/20 0.49
▸ HTR2A P28223 8/20 0.49
▸ HTR2C P28335 8/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ CYP2D6 P10635 3/20 0.49
▸ CYP2C19 P33261 3/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ ROCK2 O75116 4/20 0.45
▸ KCNA1 Q09470 2/20 0.42
▸ KCNAB1 Q14722 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TRIM24 O15164 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
SCHEMBL19377102 1.00 DRD2 (0.49) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL19377122 0.91 LMNA (0.41) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL19377148 0.91 TRIM24 (0.44) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL19377150 0.91 TRIM24 (0.44) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL19377120 0.91 LMNA (0.41) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL19377390 0.90 ABCB1 (0.43) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL19377389 0.90 ABCB1 (0.43) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL19377671 0.87 ROCK2 (0.42) CYP3A4ROCK2ALDH1A1KDM4E
SCHEMBL19377673 0.87 ROCK2 (0.42) CYP3A4ROCK2ALDH1A1KDM4E
SCHEMBL19377031 0.86 DRD2 (0.52) DRD2DRD3HTR6HTR2AHTR2C

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 4 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
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 DRD2 4443/4885DRD3 4367/4885HTR6 231/4885

“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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