SCHEMBL11935342

SCHEMBL11935342

CC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(N3CCCS3(=O)=O)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA6 P23280 1/20 0.38
OPRK1 P41145 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
F10 P00742 2/20 0.38
PTK2 Q05397 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL13439060 1.00 AKR1C3 (0.41) AKR1C3TP53LMNACA1CA2
SCHEMBL13439061 0.88 TP53 (0.41) AKR1C3TP53PTK2MAPT
SCHEMBL11935338 0.88 TP53 (0.41) AKR1C3TP53PTK2MAPT
SCHEMBL11936215 0.88 AKR1C3 (0.43) AKR1C3TP53LMNACA1CA2
SCHEMBL13565582 0.86 GRIA2 (0.43) AKR1C3TP53LMNACA1CA2
SCHEMBL17090199 0.86 GRIA2 (0.43) AKR1C3TP53LMNACA1CA2
SCHEMBL11936235 0.85 BRD4 (0.35) TP53
SCHEMBL13565563 0.84 ALDH1A1 (0.38)
SCHEMBL17090232 0.84 ALDH1A1 (0.38)
SCHEMBL17089942 0.84 ALDH1A1 (0.41) TP53LMNAMAPT

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
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R AKR1C3 1953/4885TP53 4258/4885LMNA 3149/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R AKR1C3 1265/4885TP53 4662/4885LMNA 3184/4885

“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.