SCHEMBL1768211

SCHEMBL1768211

C[C@@H](OS(=O)(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.35
CXCR1 P25024 1/20 0.34
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABCB11 O95342 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
SCHEMBL1768213 1.00 CXCR2 (0.35) CXCR2CXCR1TP53ALDH1A1L3MBTL1
SCHEMBL1924669 1.00 CXCR2 (0.35) CXCR2CXCR1TP53ALDH1A1L3MBTL1
SCHEMBL16186409 0.84 CXCR2 (0.34) CXCR2CXCR1ALDH1A1L3MBTL1
SCHEMBL10198565 0.84 CXCR2 (0.34) CXCR2CXCR1ALDH1A1L3MBTL1
SCHEMBL2598240 0.81 CA14 (0.41) CXCR2CXCR1
SCHEMBL16584183 0.81 CA14 (0.41) CXCR2CXCR1
SCHEMBL2797628 0.81 CA14 (0.41) CXCR2CXCR1
SCHEMBL3756194 0.81 CA2 (0.41)
SCHEMBL3756191 0.81 CA2 (0.41)
SCHEMBL575704 0.80 CA1 (0.33) CXCR2CXCR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771340-B1 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2016-04-13 EP claimed
US-20130150340-A1 6-(4-Hydroxy-phenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-06-13 US claimed
CN-117693502-A Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same 纽力克斯治疗公司 2024-03-12 CN disclosed
US-20230416252-A1 PROCESS TOWARD THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE JANSSEN PHARMACEUTICA NV (BE) 2023-12-28 US disclosed
CN-117120418-A Process for the preparation of compound (I) 百时美施贵宝公司 2023-11-24 CN disclosed
EP-4225757-A1 A PROCESS TOWARD THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}-1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B] [1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE Bristol-Myers Squibb Company (US) 2023-08-16 EP disclosed
US-20230158151-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. 2023-05-25 US disclosed
US-11608323-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2023-03-21 US disclosed
US-11491245-B2 Gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-11-08 US disclosed
WO-2022081473-A1 A PROCESS TOWARD THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}-1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B] [1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-21 WO disclosed
EP-3054773-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-01-26 EP disclosed
US-6403580-B1 HAVING AN INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES, THE USE THEREOF FOR TREATING DISEASES, PARTICULARLY TUMORAL DISEASES, DISEASES OF THE LUNGS AND RESPIRATORY TRACT, AND THE PREPARATION THEREOF. BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-11 US disclosed
EP-0850246-B1 PYRIMIDINE NUCLEOSIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2001-11-14 EP disclosed
US-5973188-A Acetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1999-10-26 US disclosed
EP-0850247-A1 PYRIMIDINE NUCLEOSIDE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 1998-07-01 EP disclosed
EP-0850246-A2 PYRIMIDINE NUCLEOSIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-07-01 EP disclosed
US-5705492-A ESTERIFICATION OF PYRIMIDINE NUCLEOSIDE HOFFMANN-LA ROCHE INC. (US) 1998-01-06 US disclosed
US-5698532-A VIRICIDE THAT FUNCTIONS AS A THYMIDINE KINASE ENZYME INHIBITOR FOR TREATMENT OR PROPHYLAXIS OF HERPES SIMPLEX VIRUS; ENHANCED BIOAVAILABILITY HOFFMANN-LA ROCHE INC. (US) 1997-12-16 US disclosed
WO-1997003082-A2 PYRIMIDINE NUCLEOSIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-01-30 WO disclosed
WO-1997003083-A1 PYRIMIDINE NUCLEOSIDE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 1997-01-30 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 (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-11491245-B2 Gadolinium chelate compounds for use in magnetic resonance imaging GLRA1, GLRA3, GLRB CXCR2 2191/4885CXCR1 987/4885TP53 2459/4885
US-20130150340-A1 6-(4-Hydroxy-phenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors MAP3K1, MAP4K2, MAP3K19 CXCR2 1614/4885CXCR1 1567/4885TP53 3265/4885
US-20230416252-A1 PROCESS TOWARD THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE CYP1B1, AZI2, TET1 CXCR2 1626/4885CXCR1 401/4885TP53 4478/4885
US-20230158151-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE MDM2, XIAP, ADRM1 CXCR2 4170/4885CXCR1 4732/4885TP53 128/4885
US-11608323-B2 Herbicidal compounds DDT, RDX, CBR3 CXCR2 1377/4885CXCR1 750/4885TP53 3096/4885

“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.