SCHEMBL18501532

SCHEMBL18501532

CCCOc1c(C(=O)OCC)noc1-c1cc(C)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.42
THRB P10828 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
ALOX5 P09917 3/20 0.37
TP53 P04637 2/20 0.36
TARBP2 Q15633 1/20 0.36
MLYCD O95822 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN2B Q13224 1/20 0.35
DHODH Q02127 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
SCHEMBL18501529 0.87 TDP2 (0.41) TDP2THRBLMNAHTTGABRG2
SCHEMBL18501523 0.81 TDP2 (0.37) TDP2THRBLMNAHTTGABRG2
SCHEMBL18490119 0.79 FFAR4 (0.40) TDP2THRBLMNAGABRG2GABRB3
SCHEMBL18490109 0.76 EED (0.40) TDP2THRBLMNAGABRG2GABRB3
SCHEMBL18490295 0.75 FFAR1 (0.44) GABRG2GABRB3GABRA5ALDH1A1MEN1
SCHEMBL18490104 0.74 FFAR1 (0.38) TDP2THRBLMNAGABRG2GABRB3
SCHEMBL18501530 0.72 KAT6A (0.34) THRBTP53DHODH
SCHEMBL20028542 0.72 KDM4E (0.41) ALOX5ALDH1A1MEN1KMT2ADHODH
SCHEMBL18490194 0.72 TDP2 (0.39) TDP2LMNAHTTGABRG2GABRB3
SCHEMBL18490152 0.71 PRKCZ (0.43) TDP2HTTGABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920040-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-03-20 US disclosed
US-9908873-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-03-06 US disclosed
US-9856245-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-01-02 US disclosed
US-20170044148-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 US disclosed
US-20170044146-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 US disclosed
US-20170044147-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 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 (3 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-20170044148-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 TDP2 4772/4885THRB 217/4885LMNA 2740/4885
US-20170044146-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 TDP2 4545/4885THRB 201/4885LMNA 3534/4885
US-20170044147-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR55, GPR65 TDP2 4122/4885THRB 38/4885LMNA 3040/4885

“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.