SCHEMBL18758724

SCHEMBL18758724

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.45
▸ BRD2 P25440 4/20 0.45
▸ BRD3 Q15059 4/20 0.45
▸ PTGER4 P35408 6/20 0.44
▸ MAPK1 P28482 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ ACACB O00763 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL28961686 1.00 BRD4 (0.45) BRD4BRD2BRD3PTGER4MAPK1
SCHEMBL28922411 0.92 PTGER4 (0.42) PTGER4ALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL18758566 0.92 PTGER4 (0.42) PTGER4ALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL18758537 0.92 PTGER4 (0.47) BRD4BRD2BRD3PTGER4MAPK1
SCHEMBL29894128 0.92 PTGER4 (0.47) BRD4BRD2BRD3PTGER4MAPK1
SCHEMBL28624098 0.92 PTGER4 (0.47) BRD4BRD2BRD3PTGER4MAPK1
SCHEMBL18740241 0.91 PTGER4 (0.51) BRD4BRD2BRD3PTGER4CYP1A2
SCHEMBL18740243 0.91 PTGER4 (0.51) BRD4BRD2BRD3PTGER4CYP1A2
SCHEMBL18758538 0.87 PDE2A (0.43) PTGER4ALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL18758530 0.86 PTGER4 (0.46) PTGER4ACACB

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 7 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
EP-3362454-B1 EP4 ANTAGONISTS EISAI R&D MAN CO LTD (JP) 2021-12-08 — — EP disclosed
US-20210347779-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-11-11 — — US disclosed
US-10941148-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-03-09 — — US disclosed
US-20190315754-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-10-17 — — 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 (5 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 BRD4 60/4885BRD2 855/4885BRD3 438/4885
US-10316040-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 BRD4 60/4885BRD2 855/4885BRD3 438/4885
US-10941148-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 BRD4 60/4885BRD2 855/4885BRD3 438/4885
US-20190315754-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 BRD4 60/4885BRD2 855/4885BRD3 438/4885
US-20210347779-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 BRD4 60/4885BRD2 855/4885BRD3 438/4885

“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.

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