SCHEMBL6930947

SCHEMBL6930947

N#CSc1ccc(O)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
ESR1 P03372 9/20 0.40
ESR2 Q92731 9/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
AR P10275 1/20 0.38
CYP19A1 P11511 1/20 0.38
GFER P55789 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
P4HB P07237 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL27679768 0.81 CA2 (0.44) CA2CA5AALDH1A1MAPTPOLB
SCHEMBL13247952 0.81 ALDH1A1 (0.43) CA2CA5AALDH1A1MAPTPOLB
SCHEMBL5028741 0.76 NR1H2 (0.42) CA5AESR1ESR2CYP19A1HSD17B1
SCHEMBL693345 0.76 ALDH1A1 (0.56) CA2CA5AALDH1A1MAPTPOLB
SCHEMBL944163 0.76 ALDH1A1 (0.50) CA2CA5AESR1ESR2ALDH1A1
SCHEMBL5634830 0.76 ALOX15 (0.45) CA2CA5AALDH1A1MAPTPOLB
SCHEMBL2705285 0.76 TSHR (0.45) CA2CA5AESR1ESR2ALDH1A1
SCHEMBL8528307 0.76 CYP19A1 (0.42) ESR1ESR2ARCYP19A1HSD17B1
SCHEMBL3848854 0.72 MCL1 (0.52) CA5AESR1ESR2MAPTHSD17B1
SCHEMBL6828399 0.72 MAOB (0.42) CA2CA5AALDH1A1MAPTPOLB

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-20030199560-A1 Bisaryl compound and medicament for cancer treatment comprising the same KYOWA HAKKO KOGYO CO., LTD. 2003-10-23 US disclosed
US-6608061-B2 Antiproliferative agents KYOMA HAKKO KOGYO CO., LTD. (JP) 2003-08-19 US disclosed
US-20030018070-A1 BISARYL COMPOUND AND MEDICAMENT FOR CANCER TREATMENT COMPRISING THE SAME FUJIFILM CORPORATION (JP) 2003-01-23 US disclosed
EP-0990439-A1 BISARYL COMPOUNDS AND CANCER REMEDIES CONTAINING THE SAME KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-04-05 EP 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-20030018070-A1 BISARYL COMPOUND AND MEDICAMENT FOR CANCER TREATMENT COMPRISING THE SAME AR, NR5A1, SRD5A1 CA2 1779/4885CA5A 628/4885ESR1 1006/4885
US-20030199560-A1 Bisaryl compound and medicament for cancer treatment comprising the same AR, NR5A1, SRD5A1 CA2 1779/4885CA5A 628/4885ESR1 1006/4885

“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.