SCHEMBL500233

SCHEMBL500233

CCC(CC(F)(F)F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
MAPK1 P28482 1/20 0.46
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
TDP1 Q9NUW8 2/20 0.42
CHRM1 P11229 2/20 0.42
ADRA1A P35348 2/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
GCLC P48506 2/20 0.36
EPHX2 P34913 3/20 0.36
PPARG P37231 3/20 0.36

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
SCHEMBL19825149 0.85 CHRM1 (0.38) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL23244999 0.84 CA2 (0.50) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL5389894 0.82 CHRM1 (0.62) CA2MAPK1SLC1A3SLC1A2SLC1A1
Ethylene SCHEMBL28464372 0.80 CHRM1 (0.35) CA2MAPK1SLC1A1TDP1CHRM1
SCHEMBL3914888 0.80 CA2 (0.56) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL29745595 0.80 HTT (0.37) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL4414201 0.79 CA2 (0.48) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL20788560 0.79 USP2 (0.38) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL16194041 0.79 CA2 (0.32) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL28561696 0.79 CA2 (0.61) CA2MAPK1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523280-B1 PROCESSES AND INTERMEDIATES FOR PREPARING A BTK INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2026-03-11 EP claimed
CN-117946303-A Catalyst, preparation method thereof, method for regulating and controlling ethylene polymerization kinetics behavior and application 中国石油化工股份有限公司 2024-04-30 CN claimed
US-20220328881-A1 Electrolyte Enabling Stable Extended Cycling Under Extreme Conditions US ENERGY (US) 2022-10-13 US claimed
CN-114941015-A Method for producing secondary alcohol with high mirror image selectivity 深圳艾欣达伟医药科技有限公司 2022-08-26 CN claimed
CN-113474315-A Method for producing secondary alcohol with high mirror image selectivity 深圳艾欣达伟医药科技有限公司 2021-10-01 CN claimed
CN-110556509-A Method for performing surface protection and passivation treatment on metallic lithium cathode by using fluorine-containing organic matter, product and application NANJING UNIVERSITY OF TECHNOLOGY 2019-12-10 CN claimed
EP-1470220-B1 SELECTIVE ENZYMATIC ESTERIFICATION AND SOLVOLYSIS OF EPIMERIC VITAMIN D ANALOG AND SEPARATION OF THE EPIMERS TEVA PHARMA (IL) 2011-10-05 EP claimed
EP-1490501-B1 ENZYMATIC RESOLUTION OF PROPYLENE GLYCOL ALKYL (OR ARYL) ETHERS AND ETHER ACETATES REDDY S LAB EU LTD DR (GB) 2010-05-26 EP claimed
EP-1418237-A2 Anti-Kazlauskas lipases Bayer Chemicals AG (DE) 2004-05-12 EP claimed
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
CN-118638450-A Medical endoscope antifogging agent and application thereof 辉擎医疗科技(嘉兴)有限公司 2024-09-13 CN disclosed
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2024-08-15 US disclosed
CN-117946303-A Catalyst, preparation method thereof, method for regulating and controlling ethylene polymerization kinetics behavior and application 中国石油化工股份有限公司 2024-04-30 CN disclosed
CN-117946304-A Spherical catalyst component containing fluoroester electron donor, preparation method, catalyst and application thereof in ethylene polymerization 中国石油化工股份有限公司 2024-04-30 CN disclosed
US-5270421-A Sucrose-organic acid units UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-12-14 US disclosed
EP-0542996-A4 SUGAR-BASED POLYMERS 1993-10-20 EP disclosed
EP-0542996-A1 SUGAR-BASED POLYMERS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-05-26 EP disclosed
WO-1992021765-A1 SUGAR-BASED POLYMERS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1992-12-10 WO disclosed
WO-1991019002-A1 A PROCESS FOR CHIRAL ENRICHMENT OF ASYMMETRIC PRIMARY AMINES CARLBIOTECH LTD. A/S (DK) 1991-12-12 WO disclosed
WO-1991017255-A1 BIODEGRADABLE SUGAR-BASED POLYMER UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1991-11-14 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 (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-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 CA2 4386/4885MAPK1 1100/4885SLC1A3 408/4885

“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.