SCHEMBL184701

SCHEMBL184701

FC(F)[CH]c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAOB P27338 2/20 0.41
TSHR P16473 1/20 0.41
CYP2A6 P11509 1/20 0.41
NFE2L2 Q16236 4/20 0.40
LMNA P02545 3/20 0.40
TRPA1 O75762 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 1/20 0.35
MAOA P21397 1/20 0.35
HDAC3 O15379 1/20 0.33
TNKS O95271 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL27908081 0.78 ALDH1A1 (0.43) ALDH1A1MAOBTSHRCYP2A6NFE2L2
SCHEMBL8203826 0.78 HTR2A (0.39) ALDH1A1MAOBTSHRCYP2A6NFE2L2
SCHEMBL28031136 0.77 ALDH1A1 (0.48) ALDH1A1MAOBTSHRCYP2A6LMNA
SCHEMBL3245737 0.76 CYP1A2 (0.36) ALDH1A1MAOBTSHRCYP2A6NFE2L2
SCHEMBL2400328 0.76 HTR2A (0.38) ALDH1A1MAOBTSHRCYP2A6NFE2L2
SCHEMBL7452304 0.74 NFE2L2 (0.44) NFE2L2
SCHEMBL4885478 0.74 ALDH1A1 (0.46) ALDH1A1MAOBTSHRCYP2A6NFE2L2
(Z)-1,2-Diphenylethene SCHEMBL27461337 0.73 NFE2L2 (0.62) MAOBNFE2L2TRPA1CYP19A1MAOA
SCHEMBL23457258 0.72 NFE2L2 (0.60) NFE2L2MAPK1CYP1A2CYP2D6
SCHEMBL8521687 0.72 MAOB (0.50) ALDH1A1MAOBNFE2L2LMNATRPA1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999717-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-06-04 US disclosed
EP-4334319-A1 2,8-DIHYDROPYRAZOLO[3,4-B]INDOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Merck Patent GmbH (DE) 2024-03-13 EP disclosed
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-01-10 US disclosed
CN-114728168-A Triazolecarbamate pyridylsulfonamides as LPA receptor antagonists and their use 吉利德科学公司 2022-07-08 CN disclosed
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP disclosed
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2021-06-10 US disclosed
WO-2021097039-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2021-05-20 WO disclosed
CN-109293692-B Gem-difluoroalkyl borate compounds and preparation method and application thereof 中山大学 2021-05-11 CN disclosed
WO-2009147237-A1 CHLORINATED NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2009-12-10 WO disclosed
US-20090301552-A1 CHLORINATED NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2009-12-10 US disclosed
US-20090166614-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2009-07-02 US disclosed
WO-2009024512-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2009-02-26 WO disclosed
WO-2009000831-A1 BROMINE-SUBSTITUTED RYLENE TETRACARBOXYLIC ACID DERIVATIVES, AND THE USE THEREOF BASF SE (DE) 2008-12-31 WO disclosed
EP-1987092-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2008-11-05 EP disclosed
WO-2007093643-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2007-08-23 WO disclosed
US-6777431-B2 ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2004-08-17 US disclosed
US-20030092679-A1 Novel non-convalent thrombin inhibitors DENDREON PHARMACEUTICALS LLC 2003-05-15 US disclosed
WO-2001079262-A1 PYRAZINONE AND PYRIDINONE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 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 (8 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-20090301552-A1 CHLORINATED NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS SLCO2A1, SLCO4C1, SLCO2B1 ALDH1A1 2081/4885MAOB 2446/4885TSHR 1100/4885
US-20030092679-A1 Novel non-convalent thrombin inhibitors F2, SERPINC1, F2RL3 ALDH1A1 4674/4885MAOB 3682/4885TSHR 890/4885
US-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof LPAR3, LPAR1, LPAR2 ALDH1A1 2326/4885MAOB 3270/4885TSHR 196/4885
US-11999717-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof LPAR3, LPAR1, LPAR2 ALDH1A1 2326/4885MAOB 3270/4885TSHR 196/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 ALDH1A1 525/4885MAOB 241/4885TSHR 2413/4885
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 ALDH1A1 2326/4885MAOB 3270/4885TSHR 196/4885
US-20090166614-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF FXR2, FXR1, FTO ALDH1A1 4226/4885MAOB 1895/4885TSHR 810/4885
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 ALDH1A1 2326/4885MAOB 3270/4885TSHR 196/4885

“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.