SCHEMBL197997

SCHEMBL197997

Cc1nc(C2(c3ccc(C(=O)O)cc3)CCOCC2)sc1C(C)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
RXRA P19793 7/20 0.36
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXRB P28702 3/20 0.33
RXRG P48443 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP26A1 O43174 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
CFTR P13569 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL197816 0.82 POLB (0.39) POLBRXRAALDH1A1USP2TSHR
SCHEMBL9910036 0.72 RXRA (0.43) RXRAALDH1A1HSD11B1CYP26A1CYP26B1
SCHEMBL197600 0.70 POLB (0.38) POLBRXRAALDH1A1RXRBRXRG
SCHEMBL2698321 0.70 RXRA (0.41) POLBRXRAALDH1A1USP2HSD11B1
SCHEMBL196814 0.69 GRM5 (0.46) NPC1RAB9A
SCHEMBL2698901 0.68 MAPT (0.40) POLBRXRAALDH1A1L3MBTL1MAPT
SCHEMBL15349177 0.65 F2RL3 (0.41) POLBRXRAL3MBTL1
SCHEMBL16920384 0.65 RXRA (0.50) RXRARXRBRXRGHSD11B1CYP26A1
SCHEMBL199200 0.64 KDM4E (0.41) POLBALDH1A1NPC1RAB9ARARA
SCHEMBL25933768 0.63 POLB (0.47) POLBRXRATSHRRXRBRXRG

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
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 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 (2 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 POLB 718/4885RXRA 1542/4885ALDH1A1 957/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 POLB 718/4885RXRA 1542/4885ALDH1A1 957/4885

“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.