SCHEMBL7865093

SCHEMBL7865093

CSc1ccc(C(=O)O)c(C)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.37
CYP1A2 P05177 1/20 0.37
MYC P01106 3/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
HAAO P46952 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 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
SCHEMBL27262596 0.85 KDM4E (0.40) MCL1CYP1A2ALDH1A1POLBCA12
SCHEMBL30405530 0.81 RAB9A (0.35) CYP1A2MYCALDH1A1TSHRPOLB
SCHEMBL27777699 0.79 CYP1A2 (0.38) MCL1CYP1A2MYCALDH1A1TSHR
SCHEMBL29102555 0.79 ERN1 (0.38) MCL1CYP1A2ALDH1A1TSHRPOLB
SCHEMBL30978690 0.78 RXFP1 (0.39) MCL1CYP1A2MYCALDH1A1TSHR
SCHEMBL30978700 0.78 TSHR (0.37) MCL1CYP1A2MYCALDH1A1TSHR
SCHEMBL6976990 0.78 GABRP (0.42) MCL1CYP1A2ALDH1A1TSHRPOLB
SCHEMBL30978692 0.78 RXFP1 (0.39) MCL1CYP1A2MYCALDH1A1TSHR
SCHEMBL3773890 0.78 TSHR (0.37) MCL1CYP1A2MYCALDH1A1TSHR
SCHEMBL2234136 0.77 RXRA (0.39) MCL1CYP1A2ALDH1A1POLBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR MCL1 1043/4885CYP1A2 2482/4885MYC 446/4885

“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.