SCHEMBL3140447

SCHEMBL3140447

O=C(O)C=Cc1cc(F)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
NFKB1 P19838 2/20 0.58
CA4 P22748 2/20 0.58
TDO2 P48775 1/20 0.57
MIF P14174 1/20 0.56
AR P10275 2/20 0.55
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
HPGD P15428 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2C9 P11712 2/20 0.52
GAA P10253 2/20 0.52
HDAC3 O15379 1/20 0.52
CA12 O43570 1/20 0.52
AKR1B10 O60218 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL3140440 1.00 CA1 (0.58) CA1CA2NFKB1CA4TDO2
SCHEMBL3149846 0.87 MIF (0.59) CA1CA2NFKB1CA4TDO2
SCHEMBL3149835 0.87 MIF (0.59) CA1CA2NFKB1CA4TDO2
SCHEMBL1404884 0.83 MAPT (0.59) ARKDM4EALDH1A1HSD17B10MAPT
SCHEMBL1404883 0.83 MAPT (0.59) ARKDM4EALDH1A1HSD17B10MAPT
SCHEMBL344639 0.82 ALDH1A1 (0.64) CA1CA2NFKB1CA4MIF
SCHEMBL65191 0.82 TDO2 (0.58) CA1CA2NFKB1CA4TDO2
SCHEMBL14086377 0.82 TDO2 (0.58) CA1CA2NFKB1CA4TDO2
SCHEMBL344638 0.82 ALDH1A1 (0.64) CA1CA2NFKB1CA4MIF
SCHEMBL65190 0.82 TDO2 (0.58) CA1CA2NFKB1CA4TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105979942-B For treatment or lenitive sulfamate derivatives 比皮艾思药物研发有限公司 2018-12-07 CN disclosed
CN-105979942-A Sulfamate derivative compounds for use in treating or alleviating pain 比皮艾思药物研发有限公司 2016-09-28 CN disclosed
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 WO disclosed
EP-0185319-B1 FLUORO COUMARINS AS ANTILYMPHOEDEMA AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1989-09-06 EP disclosed
US-4749798-A ANTIINFLAMMATORY, ANTISWELLING BOEHRINGER BIOCHEMIA ROBIN SPA (IT) 1988-06-07 US disclosed
EP-0185319-A2 Fluoro coumarins as antilymphoedema agents BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1986-06-25 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 (1 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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 CA1 4317/4885CA2 2091/4885NFKB1 367/4885

“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.