SCHEMBL3105102

SCHEMBL3105102

CC(C)Cc1cc(CNCC(=O)OC(C)(C)C)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.42
ADRB1 P08588 5/20 0.40
MYC P01106 1/20 0.38
ADRB2 P07550 2/20 0.38
ATM Q13315 1/20 0.37
NR1H4 Q96RI1 3/20 0.36
SGK1 O00141 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
EPHX2 P34913 1/20 0.35
S1PR1 P21453 1/20 0.35
PTPRC P08575 2/20 0.34
VSIR Q9H7M9 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
SCHEMBL3108955 0.82 NR1H4 (0.53) MYCATMNR1H4EPHX2S1PR1
SCHEMBL3117970 0.78 S1PR1 (0.35) MYCNR1H4EPHX2S1PR1VSIR
SCHEMBL3105107 0.75 ADRB3 (0.41) ADRB3ADRB1ADRB2SGK1CAMKK2
SCHEMBL5038405 0.75 MEP1B (0.60) MYCNR1H4
SCHEMBL5780166 0.75 HIF1A (0.43) ATMPTPRCVSIR
SCHEMBL1243790 0.74 ALDH1A1 (0.51) ATMNR1H4EPHX2
SCHEMBL27904830 0.74 GABRA1 (0.56) ADRB3ADRB1ADRB2SGK1CAMKK2
SCHEMBL27888038 0.74 GABRA1 (0.56) ADRB3ADRB1ADRB2SGK1CAMKK2
SCHEMBL734928 0.72 ATM (0.55) ATMPTPRC
SCHEMBL24845984 0.72 SLC7A5 (0.50) ATMPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 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 (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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 ADRB3 729/4885ADRB1 395/4885MYC 4808/4885

“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.