SCHEMBL94537

SCHEMBL94537

[CH2]c1c(F)cc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.36
CES1 P23141 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ERN1 O75460 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
TGM2 P21980 1/20 0.31
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL5416140 0.80 CES2 (0.30) CES2CES1
SCHEMBL11203535 0.80 RAPGEF4 (0.40) CES2CES1RAPGEF4
SCHEMBL11206892 0.73 SELL (0.36) ALDH1A1RAPGEF4
SCHEMBL378485 0.73 DGAT1 (0.33)
SCHEMBL693165 0.73 TSHR (0.41) ALDH1A1
SCHEMBL27956771 0.72 CES2 (0.48) CES2CES1CA1ALDH1A1ERN1
SCHEMBL357508 0.71 CES2 (0.42) CES2CES1CA12CA1CA9
SCHEMBL12578957 0.69 CES2 (0.39) CES2CES1CA12CA1CA9
SCHEMBL531337 0.69 CES2 (0.52) CES2CES1CA12CA1CA9
Ammonia Solution, Strong SCHEMBL28746659 0.69 CES2 (0.41) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11926758-B2 Polytriazole coating materials for metal substrates SAUDI ARABIAN OIL COMPANY (SA) 2024-03-12 US claimed
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. 2024-01-04 US claimed
US-11814473-B2 Polytriazole copolymer compositions SAUDI ARABIAN OIL COMPANY (SA) 2023-11-14 US claimed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
CN-115057848-B Axis chiral isopyranone-indole derivative and synthesis method thereof 江苏师范大学 2023-08-18 CN claimed
EP-4204400-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION Fibrogen, Inc. (US) 2023-07-05 EP claimed
CN-116348450-A Compounds, compositions and methods for histone lysine demethylase inhibition 菲布罗根有限公司 2023-06-27 CN claimed
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US claimed
CN-115057848-A Axial chiral isopyranone-indole derivative and synthetic method thereof 江苏师范大学 2022-09-16 CN claimed
US-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents SYNGENTA CROP PROTECTION AG (CH) 2022-03-15 US claimed
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 US claimed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 WO claimed
JP-2003529546-A 2003-10-07 JP claimed
EP-1218372-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2003-07-02 EP claimed
US-6495540-B2 HEXAHYDROAZEPINE-2-ONE DERIVATIVE AS BETA-AMYLOID INHIBITOR BRISTOL - MYERS SQUIBB PHARMA COMPANY 2002-12-17 US claimed
US-6420364-B1 TREATING AUTOIMMUNE DISEASES,ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-16 US claimed
EP-1218372-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-07-03 EP claimed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 US claimed
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-24 US claimed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents UNG, TYMP, TYMS CES2 1562/4885CES1 1450/4885CA12 4133/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CES2 590/4885CES1 141/4885CA12 1154/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CES2 590/4885CES1 141/4885CA12 1154/4885
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION KDM5C, KDM5B, KDM5A CES2 630/4885CES1 430/4885CA12 3916/4885
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BACE1, APP, APH1A CES2 1767/4885CES1 1031/4885CA12 3793/4885
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS CES2 1763/4885CES1 1540/4885CA12 4178/4885

“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.