SCHEMBL19475319

SCHEMBL19475319

COCCOCOc1ccccc1C(=O)N1C=CCC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 2/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ PTK2B Q14289 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RARA P10276 2/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ TSHR P16473 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ RARG P13631 2/20 0.34
▸ RARB P10826 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD1 P21728 1/20 0.34

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
SCHEMBL20996800 1.00 FFAR2 (0.38) FFAR2KMT2AALDH1A1PTK2BKDM4E
SCHEMBL19475398 0.88 NPSR1 (0.38) KMT2AALDH1A1PTK2BKDM4ELMNA
SCHEMBL19475396 0.88 NPSR1 (0.38) KMT2AALDH1A1PTK2BKDM4ELMNA
SCHEMBL19475152 0.81 HTT (0.49) FFAR2KMT2AALDH1A1KDM4ELMNA
SCHEMBL19505791 0.80 NPSR1 (0.36) KMT2AALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL19474996 0.76 L3MBTL1 (0.31) FFAR2ALDH1A1SMN1; SMN2NPSR1
SCHEMBL19474997 0.76 L3MBTL1 (0.31) FFAR2ALDH1A1SMN1; SMN2NPSR1
SCHEMBL19475397 0.75 SMN1; SMN2 (0.37) FFAR2ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL19475399 0.75 SMN1; SMN2 (0.37) FFAR2ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL8945690 0.75 ALDH1A1 (0.66) KMT2AALDH1A1PTK2BKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647671-B2 Promysalin analogues and methods of use thereof Temple University—Of the Commonwealth System of Higher Education (US) 2020-05-12 — — US disclosed
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof Temple University--of the Commonwealth System of Higher Education 2019-05-30 — — US disclosed
WO-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 — — 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 (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-10647671-B2 Promysalin analogues and methods of use thereof CCL11, MAN2A1, PREP FFAR2 4071/4885KMT2A 1988/4885ALDH1A1 2458/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 FFAR2 4419/4885KMT2A 2088/4885ALDH1A1 2906/4885

“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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