SCHEMBL350153

SCHEMBL350153

[NH]C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.74
SRD5A2 P31213 1/20 0.61
MAPT P10636 1/20 0.59
LMNA P02545 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
P2RX1 P51575 1/20 0.57
POLB P06746 2/20 0.56
HPGD P15428 1/20 0.56
ALDH1A1 P00352 2/20 0.54
MAOB P27338 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KCNK3 O14649 1/20 0.54
PTGS1 P23219 2/20 0.53
GAA P10253 1/20 0.51

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
SCHEMBL3176325 0.85 CES2 (1.00) CES2SRD5A2MAPTLMNANPSR1
SCHEMBL1237189 0.85 SRD5A2 (0.79) CES2SRD5A2MAPTLMNANPSR1
SCHEMBL4086253 0.85 CES2 (0.69) CES2SRD5A2MAPTLMNANPSR1
SCHEMBL4854791 0.83 CES2 (0.74) CES2SRD5A2MAPTLMNANPSR1
SCHEMBL40186 0.83 SRD5A2 (0.77) CES2SRD5A2MAPTLMNANPSR1
SCHEMBL3816062 0.83 CES2 (0.74) CES2SRD5A2MAPTLMNANPSR1
SCHEMBL29433907 0.83 SRD5A2 (0.77) CES2SRD5A2MAPTLMNANPSR1
SCHEMBL5825944 0.82 L3MBTL1 (0.55) CES2HPGDALDH1A1
SCHEMBL39834 0.82 CES2 (0.71) CES2SRD5A2MAPTLMNANPSR1
SCHEMBL10424320 0.82 CES2 (0.71) CES2SRD5A2MAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111662275-A Benzenesulfonamide IDH mutant inhibitor, preparation method and application thereof 中国药科大学 2020-09-15 CN claimed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US claimed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP claimed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO claimed
EP-0973767-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS Dupont Pharmaceuticals Company (US) 2000-01-26 EP claimed
US-5985867-A TREATING HIV INFECTION DUPONT PHARMACEUTICALS COMPANY (US) 1999-11-16 US claimed
WO-1998043969-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY (US) 1998-10-08 WO claimed
CN-111662275-B Benzenesulfonamide IDH mutant inhibitor, preparation method and application thereof 中国药科大学 2023-08-22 CN disclosed
CN-111662275-A Benzenesulfonamide IDH mutant inhibitor, preparation method and application thereof 中国药科大学 2020-09-15 CN disclosed
US-8247602-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-21 US disclosed
US-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2012-01-19 US disclosed
US-8071807-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-12-06 US disclosed
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-06-16 US disclosed
EP-0557877-B1 Soluble salts of 4-amino-2-(4,4-dimethyl-imidazolidin-2-on-1-yl)-pyrimidin-5-carboxylic acid N-methyl-N-(3-trifluoromethyl-phenyl)-amide, process for their preparation, their use as medicine and initial products HOECHST AG (DE) 1997-09-24 EP disclosed
EP-0782164-A1 Plasma display filter MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-07-02 EP disclosed
EP-0557879-B1 4-amino-2-ureido-5-pyrimidincarboxamide, process for their preparation, medicines containing those compounds and their use HOECHST AG (DE) 1997-01-08 EP disclosed
US-5571816-A TREATMENT OF LIPID METABOLISM DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed
EP-0557879-A1 4-amino-2-ureido-5-pyrimidincarboxamide, process for their preparation, medicines containing those compounds and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-01 EP disclosed
EP-0557877-A1 Soluble salts of 4-amino-2-(4,4-dimethyl-imidazolidin-2-on-1-yl)-pyrimidin-5-carboxylic acid N-methyl-N-(3-trifluoromethyl-phenyl)-amide, process for their preparation, their use as medicine and initial products HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-01 EP disclosed
US-4225493-A FOR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 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 (3 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-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CES2 3083/4885SRD5A2 510/4885MAPT 4847/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CES2 3083/4885SRD5A2 510/4885MAPT 4847/4885
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 CES2 718/4885SRD5A2 1685/4885MAPT 2763/4885

“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.