SCHEMBL3915580

SCHEMBL3915580

CC(C)C[C@H](N)C(=O)NC[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
LARS1 Q9P2J5 3/20 0.40
TRPV4 Q9HBA0 4/20 0.40
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGA1 P56199 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 1/20 0.38
ITGAV P06756 1/20 0.38
ALPL P05186 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL4135643 0.91 TRPV4 (0.47) LARS1TRPV4
Hydrochloric Acid SCHEMBL4136148 0.83 TRPV4 (0.46) LARS1TRPV4MEN1KMT2A
SCHEMBL4140210 0.81 BMP1 (0.45) ATMLARS1TRPV4MEN1TSHR
SCHEMBL3915576 0.81 RAB9A (0.42) RAB9AATMTRPV4MEN1TSHR
SCHEMBL5430581 0.81 CTSL (0.45) RAB9AATMTRPV4ALDH1A1ALOX12
SCHEMBL5440181 0.81 ITGA1 (0.47) RAB9AATMTRPV4MEN1TSHR
SCHEMBL5430207 0.77 RAB9A (0.41) RAB9ATRPV4MEN1KMT2APTGDR
SCHEMBL5441608 0.77 TRPV4 (0.66) TRPV4
SCHEMBL14360833 0.77 IDO1 (0.44) RAB9AATMTRPV4MEN1KMT2A
SCHEMBL5433686 0.76 GBA1 (0.55) RAB9AATMTRPV4MEN1KMT2A

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-1797065-A4 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORP (US) 2009-03-04 EP disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
EP-1797065-A2 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029210-A2 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO 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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 RAB9A 3846/4885ATM 4742/4885LARS1 2920/4885

“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.