SCHEMBL1410454

SCHEMBL1410454

O=S1(=O)CCCN1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.42
▸ TP53 P04637 6/20 0.40
▸ POLB P06746 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PTGER1 P34995 1/20 0.37
▸ AKR1C3 P42330 1/20 0.35
▸ SLC9A3 P48764 1/20 0.35
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ CTSD P07339 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PIK3C3 Q8NEB9 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
SCHEMBL22032910 0.75 P2RX1 (0.45) TP53
SCHEMBL12364671 0.73 TP53 (0.47) TP53POLBCA1CA2CA6
SCHEMBL22033341 0.72 P2RX1 (0.47) TP53
SCHEMBL14138987 0.72 TP53 (0.46) TP53POLBCA1CA2CA6
SCHEMBL18367700 0.71 POLB (0.52) TP53POLBCA1CA2CA6
SCHEMBL3542897 0.69 CA1 (0.58) TP53POLBCA1CA2CA6
SCHEMBL12457428 0.69 CA1 (0.50) TP53POLBCA1CA2CA6
SCHEMBL12209941 0.68 POLB (0.57) TP53POLBCA1CA2CA6
SCHEMBL19011735 0.67 ADRB1 (0.68) ADRB1POLBLMNA
SCHEMBL1410097 0.67 ADRB1 (0.37) ADRB1POLB

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
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 — — EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 — — US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 — — US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 — — 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 (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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L ADRB1 2484/4885TP53 564/4885POLB 4792/4885

“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