SCHEMBL16503263

SCHEMBL16503263

CC[C@@H](CO)n1c(O)nc2ncc(Cl)c(-c3ccc(F)cc3)c21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.34
USP7 Q93009 1/20 0.34
GCGR P47871 7/20 0.33
TGFBR2 P37173 1/20 0.33
MET P08581 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
RPS6KA3 P51812 1/20 0.32
NTRK1 P04629 2/20 0.31
ADORA1 P30542 1/20 0.30

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
SCHEMBL2299259 1.00 TGFBR1 (0.34) TGFBR1USP7GCGRTGFBR2MET
SCHEMBL2299439 0.94 MET (0.33) TGFBR1USP7GCGRMETMEN1
SCHEMBL2298510 0.93 MET (0.34) TGFBR1USP7GCGRMETMEN1
SCHEMBL2300218 0.93 USP7 (0.33) TGFBR1USP7GCGRMETMEN1
SCHEMBL2297662 0.93 USP7 (0.33) TGFBR1USP7GCGRMETMEN1
SCHEMBL2297656 0.91 USP7 (0.34) TGFBR1USP7GCGRMETMEN1
SCHEMBL2299085 0.91 USP7 (0.34) TGFBR1USP7GCGRMETMEN1
SCHEMBL16496400 0.91 USP7 (0.35) USP7GCGRRAB9A
SCHEMBL3394974 0.91 USP7 (0.35) USP7GCGRRAB9A
SCHEMBL2300176 0.90 USP7 (0.33) USP7GCGRADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 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-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 TGFBR1 2747/4885USP7 3466/4885GCGR 1276/4885

“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.