SCHEMBL5397113

SCHEMBL5397113

O=S(=O)(CCCc1ccccc1)Nc1ccc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.48
CA2 P00918 1/20 0.44
BRD4 O60885 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
TSHR P16473 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
SCHEMBL5402624 0.90 PTGES2 (0.51) GLO1CA2PTGES2IDO1
SCHEMBL5394291 0.80 CYP19A1 (0.52) CA2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6491355 0.76 CA2 (0.55) GLO1CA2MEN1KMT2APOLB
SCHEMBL6795676 0.73 MEN1 (0.54) GLO1CA2MEN1KMT2APOLB
SCHEMBL10895642 0.73 CA2 (0.56) GLO1CA2MEN1KMT2APTGES2
SCHEMBL8533229 0.71 GLO1 (0.62) GLO1BRD4MEN1KMT2AKDM4E
SCHEMBL9597342 0.70 GLO1 (0.49) GLO1CA2MEN1KMT2APOLB
SCHEMBL8907300 0.70 MEN1 (0.60) GLO1CA2MEN1KMT2APOLB
SCHEMBL9570449 0.70 CA2 (0.49) GLO1CA2MEN1KMT2APOLB
SCHEMBL2356080 0.70 CA2 (0.56) CA2MEN1KMT2APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291643-B2 Cyanopyrrole-sulfonamide progesterone receptor modulators and uses thereof WYETH (US) 2007-11-06 US disclosed
US-20070027201-A1 Use of progesterone receptor modulators WYETH (US) 2007-02-01 US disclosed
US-20070027126-A1 E.g., N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]propane-1-sulfonamide and tert-butyl 2-cyano-5-{4-{(ethylsulfonyl)amino]phenyl}-1H-pyrrole-1-carboxylate; useful for contraception and hormone replacement therapy WYETH (US) 2007-02-01 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-20070027201-A1 Use of progesterone receptor modulators GNRHR, PGR, FSHR GLO1 3596/4885CA2 2247/4885BRD4 1768/4885
US-20070027126-A1 E.g., N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]propane-1-sulfonamide and tert-butyl 2-cyano-5-{4-{(ethylsulfonyl)amino]phenyl}-1H-pyrrole-1-carboxylate; useful for contraception and hormone replacement therapy GNRHR, PGR, PRLHR GLO1 1464/4885CA2 2895/4885BRD4 431/4885

“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.