SCHEMBL22607823

SCHEMBL22607823

O=C(O)C[C@@H](O)Cc1cccc(C#Cc2ccsc2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.40
▸ MMP12 P39900 2/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ PTGES O14684 6/20 0.39
▸ MMP13 P45452 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ CYP2A6 P11509 1/20 0.37
▸ FOLH1 Q04609 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ PIN1 Q13526 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
SCHEMBL22607824 1.00 FFAR1 (0.40) FFAR1MMP12MMP2MMP9PTGES
SCHEMBL22624596 0.86 PTGES (0.39) FFAR1PTGESGRM5
SCHEMBL29943707 0.86 PTGES (0.39) FFAR1PTGESGRM5
SCHEMBL22607864 0.76 FFAR1 (0.38) FFAR1PTGES
SCHEMBL22607867 0.76 FFAR1 (0.38) FFAR1PTGES
SCHEMBL27581966 0.75 MME (0.44) MMP12MMP2MMP9MMP13TRPA1
SCHEMBL16150972 0.70 NPC1 (0.50) FFAR1PTGESGRM5CYP2A6
SCHEMBL22607933 0.69 FOLH1 (0.45) FFAR1PTGESFOLH1TRPA1
SCHEMBL22607932 0.69 FOLH1 (0.45) FFAR1PTGESFOLH1TRPA1
SCHEMBL28027446 0.69 PNMT (0.50) FFAR1FOLH1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2023-06-06 — — US disclosed
US-20210188837-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2021-06-24 — — US disclosed
US-10988468-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2021-04-27 — — US disclosed
US-20200347046-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2020-11-05 — — US disclosed
EP-3733665-A1 NITROGEN-CONTAINING SIX-MEMBERED RING COMPOUND Asahi Kasei Pharma Corporation (JP) 2020-11-04 — — EP 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 (4 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-20210188837-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND PTGER4, EPB41, BMP4 FFAR1 183/4885MMP12 444/4885MMP2 556/4885
US-10988468-B2 Nitrogen-containing 6-membered cyclic compound PTGER4, EPB41, BMP4 FFAR1 183/4885MMP12 444/4885MMP2 556/4885
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound PTGER4, EPB41, BMP4 FFAR1 183/4885MMP12 444/4885MMP2 556/4885
US-20200347046-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND PTGER4, EPB41, BMP4 FFAR1 183/4885MMP12 444/4885MMP2 556/4885

“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