SCHEMBL214223

SCHEMBL214223

CC(C(=O)O)c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
PTGS2 P35354 9/20 0.47
CXCL8 P10145 2/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP12 P39900 2/20 0.46
MMP13 P45452 2/20 0.46
MMP14 P50281 2/20 0.46
MMP16 P51512 2/20 0.46
MMP1 P03956 1/20 0.46
PTGS1 P23219 7/20 0.45
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL4824347 1.00 HTT (0.49) HTTPTGS2CXCL8MMP2MMP9
SCHEMBL4825414 1.00 HTT (0.49) HTTPTGS2CXCL8MMP2MMP9
SCHEMBL15695565 0.88 HTT (0.49) HTTPTGS2CXCL8MMP2MMP9
SCHEMBL29144510 0.88 HTT (0.49) HTTPTGS2CXCL8MMP2MMP9
SCHEMBL27600698 0.85 HTT (0.50) HTTPTGS2CYP2C9CYP2C19ALDH1A1
SCHEMBL2204495 0.84 PTGS2 (0.56) PTGS2CXCL8MMP2MMP9MMP8
SCHEMBL8945731 0.84 CXCL8 (0.44) HTTPTGS2CXCL8MMP2MMP9
SCHEMBL286787 0.82 CXCL8 (0.43) HTTPTGS2CXCL8MMP2MMP9
SCHEMBL7595932 0.82 PGR (0.47) HTTPTGS2PTGS1CYP2C9CYP2C19
SCHEMBL9780871 0.82 HTT (0.51) HTTPTGS2CXCL8CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101380317-A Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV (CN) 2009-03-11 CN claimed
CN-1911925-A 3,4-dihydro-III 2 benzopyran-1 ketone kind compound, its preparation method and use SHANGHAI INST OF MEDICINE CAS (CN) 2007-02-14 CN claimed
CN-1425001-A Process for preparing -2-acetylthio-3-phenylpropionic acid DSM NV (NL) 2003-06-18 CN claimed
EP-0328291-B1 HALOGENATED POLYBUTADIENE SERIES ELASTOMERS, METHOD OF PRODUCING THE SAME, AND RUBBER COMPOSITIONS FOR TIRES CONTAINING THE ELASTOMER Bridgestone Corporation (JP) 1992-04-29 EP claimed
US-12404295-B2 (Hetero)aryl-methyl-thio-beta-D-galactopyranoside derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-09-02 US disclosed
EP-4010076-B1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2024-01-17 EP disclosed
US-20220315619-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-10-06 US disclosed
EP-4010076-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2022-06-15 EP disclosed
WO-2021028336-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-02-18 WO disclosed
US-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE RESILIO COMPANY LIMITED (JP) 2017-05-11 US disclosed
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2946792-A1 THERAPEUTIC AGENT AND THERAPEUTIC METHOD RELATING TO 1,25D3-MARRS FOR NEUROLOGICAL DISEASE SUCH AS ALZHEIMER'S DISEASE& xA; Resilio Company Limited (JP) 2015-11-25 EP disclosed
US-5240938-A Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring MERCK & CO., INC. (US) 1993-08-31 US disclosed
EP-0517812-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-16 EP disclosed
WO-1991011999-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed
EP-0255178-A2 Process for preparing hetero aryl and aryl alkanoic acids Nobel Chemicals AB (SE) 1988-02-03 EP disclosed
CN-86108331-A The halogenated radioactive small molecule of labelled protein 1987-11-04 CN disclosed
US-4290959-A Preparation of propylene oxide HALCON RESEARCH AND DEVELOPMENT CORP. (US) 1981-09-22 US disclosed
US-4169809-A Extractive purification of carboxylic acids containing monovalent and trivalent thallium carboxylates HALCON RESEARCH & DEVELOPMENT CORPORATION (US) 1979-10-02 US disclosed
US-4166097-A CARBOXYLIC ACID HALCON RESEARCH & DEVELOPMENT CORPORATION (US) 1979-08-28 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-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE GAP43, NGF, BDNF HTT 459/4885PTGS2 240/4885CXCL8 2614/4885
US-20220315619-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES LGALS1, LGALS3, LGALS2 HTT 1755/4885PTGS2 2613/4885CXCL8 3450/4885
US-12404295-B2 (Hetero)aryl-methyl-thio-beta-D-galactopyranoside derivatives LGALS1, LGALS3, LGALS2 HTT 1755/4885PTGS2 2613/4885CXCL8 3450/4885

“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.