SCHEMBL19002004

SCHEMBL19002004

CC1(C)OB(c2cnn(COCCS(C)(C)C)c2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LPL P06858 3/20 0.32
LIPG Q9Y5X9 3/20 0.32
DGAT1 O75907 1/20 0.31

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
SCHEMBL26459336 0.88 LIPG (0.42) FFAR1CA1CA2CA9LPL
SCHEMBL3405330 0.84 FFAR1 (0.57) FFAR1CA1CA2CA9LPL
SCHEMBL2746946 0.84 FFAR1 (0.53) FFAR1CA1CA2CA9LPL
SCHEMBL98872 0.84 FFAR1 (0.53) FFAR1CA1CA2CA9LPL
SCHEMBL29966774 0.84 FFAR1 (0.53) FFAR1CA1CA2CA9LPL
SCHEMBL24609489 0.82 FFAR1 (0.57) FFAR1CA1CA2CA9LPL
SCHEMBL19629502 0.82 FFAR1 (0.51) FFAR1CA1CA2CA9LPL
SCHEMBL1869990 0.79 FFAR1 (0.60) FFAR1CA1CA2CA9LPL
SCHEMBL14788157 0.77 FFAR1 (0.58) FFAR1CA1CA2CA9LPL
SCHEMBL19629420 0.77 FFAR1 (0.30) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271931-A1 CARBOXYLIC ACID AROMATIC AMIDES AS ANTAGONISTS OF BRADYKININ B1 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-08-31 US disclosed
US-20230043209-A1 CARBOXYLIC ACID AROMATIC AMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-02-09 US disclosed
US-20190092759-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-03-28 US disclosed
US-9981963-B2 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
US-9981962-B2 Pyrazole derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
US-9975882-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-22 US disclosed
US-20180030037-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-02-01 US disclosed
US-9815822-B2 2017-11-14 US disclosed
US-20170174663-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-22 US 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-20230043209-A1 CARBOXYLIC ACID AROMATIC AMIDES DDC, PAH, NAT1 FFAR1 507/4885CA1 560/4885CA2 540/4885
US-20170174663-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK FFAR1 4479/4885CA1 4850/4885CA2 3500/4885
US-20180030037-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK FFAR1 4479/4885CA1 4850/4885CA2 3500/4885
US-20190092759-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK FFAR1 4479/4885CA1 4850/4885CA2 3500/4885
US-20230271931-A1 CARBOXYLIC ACID AROMATIC AMIDES AS ANTAGONISTS OF BRADYKININ B1 RECEPTOR BDKRB1, BDKRB2, HCAR1 FFAR1 68/4885CA1 940/4885CA2 626/4885

“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.