SCHEMBL3473525

SCHEMBL3473525

Cc1nc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2n(CCCC(=O)O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.48
PIN1 Q13526 3/20 0.48
FFAR4 Q5NUL3 3/20 0.47
FFAR1 O14842 2/20 0.47
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
MCHR1 Q99705 1/20 0.41
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL3375834 0.86 BRD4 (0.42) FFAR4FFAR1CYP3A4
SCHEMBL3346223 0.81 PIN1 (0.46) CHEK2PIN1FFAR4FFAR1ACSS2
SCHEMBL3347869 0.77 FFAR1 (0.47) FFAR4FFAR1
SCHEMBL3434891 0.75 FFAR4 (0.44) CHEK2PIN1FFAR4FFAR1ACSS2
SCHEMBL3415925 0.74 CHEK2 (0.44) CHEK2
SCHEMBL3376506 0.73 SCD (0.51) PIN1ALDH1A1KDM4EHTTCYP1A2
SCHEMBL3473519 0.72 FFAR1 (0.44) FFAR4FFAR1
SCHEMBL3350646 0.69 ALDH1A1 (0.42) PIN1ALDH1A1KDM4EHTTUSP2
SCHEMBL3476245 0.69 KDM4E (0.42) KDM4EACSS2
SCHEMBL11193487 0.68 ALDH1A1 (0.49) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19

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-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US claimed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 CHEK2 3509/4885PIN1 4039/4885FFAR4 363/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 CHEK2 3509/4885PIN1 4039/4885FFAR4 363/4885

“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.