SCHEMBL18758566

SCHEMBL18758566

COC(=O)c1ccc([C@H](C)NC(=O)c2c(C(F)(F)F)nn3c2N(c2ccc(C(F)(F)F)cc2)CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 8/20 0.42
▸ PDE2A O00408 8/20 0.41
▸ PTGER2 P43116 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38

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
SCHEMBL28922411 1.00 PTGER4 (0.42) PTGER4PDE2APTGER2CYP1A2ALDH1A1
SCHEMBL18758538 0.95 PDE2A (0.43) PTGER4PDE2APTGER2CYP1A2ALDH1A1
SCHEMBL28961686 0.92 BRD4 (0.45) PTGER4CYP1A2ALDH1A1TSHRCYP2D6
SCHEMBL18758724 0.92 BRD4 (0.45) PTGER4CYP1A2ALDH1A1TSHRCYP2D6
SCHEMBL18758569 0.91 PTGER4 (0.51) PTGER4PTGER2
SCHEMBL20539536 0.91 PTGER4 (0.51) PTGER4PTGER2
SCHEMBL18758716 0.90 PTGER4 (0.46) PTGER4PTGER2
SCHEMBL28619681 0.90 PTGER4 (0.46) PTGER4PTGER2
SCHEMBL18758537 0.87 PTGER4 (0.47) PTGER4PTGER2CYP1A2CYP3A4TSHR
SCHEMBL29894128 0.87 PTGER4 (0.47) PTGER4PTGER2CYP1A2CYP3A4TSHR

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-11434246-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-09-06 — — US disclosed
US-20210347779-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-11-11 — — US disclosed
US-10316040-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-06-11 — — US disclosed
WO-2017066633-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-04-20 — — WO 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-11434246-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 PTGER4 1/4885PDE2A 265/4885PTGER2 4/4885
US-10316040-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 PTGER4 1/4885PDE2A 265/4885PTGER2 4/4885
US-20210347779-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 PTGER4 1/4885PDE2A 265/4885PTGER2 4/4885

“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.

Send feedback