SCHEMBL19780469

SCHEMBL19780469

Cc1cc(CC(=O)O)cc2cc(Cl)cnc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.38
THRB P10828 4/20 0.38
AGBL2 Q5U5Z8 2/20 0.38
P4HTM Q9NXG6 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRA P10827 3/20 0.35
PLAU P00749 1/20 0.35
KLKB1 P03952 1/20 0.35
MAP4K1 Q92918 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGS1 P23219 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35

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
SCHEMBL21027836 0.83 ALDH1A1 (0.40) L3MBTL1KLKB1MAP4K1
SCHEMBL19780470 0.82 THRB (0.38) PTGDR2THRBP4HTMLMNAL3MBTL1
SCHEMBL19780593 0.82 KLKB1 (0.37) PTGDR2THRBAGBL2P4HTMLMNA
SCHEMBL18458869 0.81 RECQL (0.33) KLKB1MAP4K1
SCHEMBL19780464 0.80 PARP1 (0.34) KLKB1MAP4K1
SCHEMBL3594386 0.75 SLC22A12 (0.46) LMNAL3MBTL1KDM4E
SCHEMBL19780614 0.75 KDM4E (0.36) KLKB1MAP4K1KDM4E
SCHEMBL31716921 0.73 P4HTM (0.42) PTGDR2THRBAGBL2P4HTMPTGS1
SCHEMBL18371612 0.73 CA2 (0.46) P4HTMLMNAKLKB1MAP4K1KDM4E
SCHEMBL3103568 0.73 CYP3A4 (0.43) PLAUKDM4E

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-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 US disclosed
US-10781200-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-10301284-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-05-28 US disclosed
WO-2018011628-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-18 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 (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-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PTGDR2 559/4885THRB 4518/4885AGBL2 273/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PTGDR2 559/4885THRB 4518/4885AGBL2 273/4885
US-10781200-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 PTGDR2 559/4885THRB 4518/4885AGBL2 273/4885
US-10301284-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 PTGDR2 559/4885THRB 4518/4885AGBL2 273/4885

“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.