SCHEMBL13601655

SCHEMBL13601655

COc1cccc(-c2ccc(C(=O)O)cc2C)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
MRGPRX4 Q96LA9 3/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
TPMT P51580 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
DHODH Q02127 2/20 0.47
TTR P02766 2/20 0.43
RAD52 P43351 1/20 0.43
ERN1 O75460 1/20 0.43

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
SCHEMBL2773780 0.85 AKR1C3 (0.62) HTTLMNAMAPK1RAB9AMRGPRX4
SCHEMBL13601653 0.84 TTR (0.45) MRGPRX4AKR1C3AKR1C2TTR
SCHEMBL13601648 0.82 TTR (0.44) HTTLMNAMAPK1RAB9AMRGPRX4
SCHEMBL16502493 0.82 RAB9A (0.50) HTTLMNAMAPK1RAB9AMRGPRX4
SCHEMBL13652585 0.81 TTR (0.48) CA12CA1CA2CA7CA9
SCHEMBL14879938 0.80 MRGPRX4 (0.54) HTTLMNAMAPK1RAB9AMRGPRX4
SCHEMBL4502244 0.80 KMO (0.47) MRGPRX4AKR1C3AKR1C2TTRTSHR
SCHEMBL13601649 0.78 RORC (0.49) MRGPRX4AKR1C3AKR1C2TTR
SCHEMBL2773418 0.77 CA12 (0.57) HTTLMNAMAPK1RAB9ACA12
SCHEMBL68014 0.76 ALDH1A1 (0.57) CA12CA1CA2CA7CA9

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-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 HTT 4576/4885LMNA 3693/4885MAPK1 1118/4885

“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.