SCHEMBL3943386

SCHEMBL3943386

O=C(Nc1ccccc1)c1[nH]c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.56
GPR27 Q9NS67 4/20 0.49
AVPR2 P30518 3/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
IDH1 O75874 1/20 0.46
MAPT P10636 1/20 0.46
FFAR4 Q5NUL3 1/20 0.44
BRD4 O60885 1/20 0.43
PRSS12 P56730 1/20 0.43

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
SCHEMBL4889486 0.91 SERPINE1 (0.59) SERPINE1CA12CA1CA2CA4
SCHEMBL3946729 0.87 SERPINE1 (0.53) SERPINE1CA12CA1CA2CA4
SCHEMBL3948032 0.86 SERPINE1 (0.55) SERPINE1GPR27AVPR2CA1CA2
SCHEMBL3953797 0.85 CA1 (0.52) GPR27AVPR2CA12CA1CA2
SCHEMBL3952188 0.85 MAPT (0.54) GPR27AVPR2CA12CA1CA2
SCHEMBL3945237 0.84 KMT2A (0.58) SERPINE1GPR27CA12CA1CA2
SCHEMBL3953084 0.83 BRD4 (0.52) SERPINE1GPR27AVPR2CA12CA1
SCHEMBL3952037 0.83 GPR27 (0.53) GPR27AVPR2CA12CA1CA2
SCHEMBL3947590 0.81 BRD4 (0.54) SERPINE1GPR27AVPR2CA12CA1
SCHEMBL3951985 0.80 BRD4 (0.55) SERPINE1CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP claimed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 US claimed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 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 (2 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-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY2, ADCY5 SERPINE1 688/4885GPR27 267/4885AVPR2 101/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 SERPINE1 688/4885GPR27 267/4885AVPR2 101/4885

“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.