SCHEMBL3123201

SCHEMBL3123201

CCc1cccc(-c2c(Cl)cccc2C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.47
POLB P06746 1/20 0.43
REN P00797 4/20 0.43
CYP3A4 P08684 4/20 0.43
BRD4 O60885 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
STS P08842 3/20 0.42
ACKR3 P25106 1/20 0.41
KAT6A Q92794 1/20 0.40
KAT5 Q92993 1/20 0.40
RHOA P61586 1/20 0.39

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
SCHEMBL3123197 1.00 USP30 (0.47) USP30POLBRENCYP3A4BRD4
SCHEMBL2850274 0.88 KAT6A (0.49) USP30POLBRENMEN1KMT2A
SCHEMBL2850273 0.88 KAT6A (0.49) USP30POLBRENMEN1KMT2A
SCHEMBL2846275 0.87 POLB (0.45) POLBRENCYP3A4MEN1KMT2A
SCHEMBL2849948 0.87 POLB (0.45) POLBRENCYP3A4MEN1KMT2A
SCHEMBL8143207 0.84 REN (0.43) USP30POLBRENCYP3A4BRD4
SCHEMBL13010324 0.82 USP30 (0.44) USP30RENCYP3A4BRD4STS
SCHEMBL8145711 0.82 USP30 (0.44) USP30RENCYP3A4BRD4STS
SCHEMBL970360 0.79 POLB (0.51) USP30POLBMEN1KMT2AALDH1A1
SCHEMBL970359 0.79 POLB (0.51) USP30POLBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100280005-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-11-04 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 US disclosed
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 US disclosed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 WO disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 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 (4 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 USP30 2211/4885POLB 1716/4885REN 1/4885
US-20100280005-A1 Renin Inhibitors REN, ACE, AGTR1 USP30 2118/4885POLB 1709/4885REN 1/4885
US-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 USP30 2244/4885POLB 1943/4885REN 1/4885
US-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP USP30 740/4885POLB 1262/4885REN 2/4885

“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.