SCHEMBL4364840

SCHEMBL4364840

CC(CC(=O)O)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.49
ALOX5 P09917 1/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FFAR1 O14842 2/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KEAP1 Q14145 1/20 0.44
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 2/20 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
SCHEMBL29065806 1.00 ALDH1A1 (0.49) ALDH1A1RAB9AALOX5NPC1HPGD
SCHEMBL28814771 1.00 ALDH1A1 (0.49) ALDH1A1RAB9AALOX5NPC1HPGD
SCHEMBL27987923 0.86 RAB9A (0.50) ALDH1A1RAB9AALOX5NPC1HPGD
SCHEMBL4368395 0.84 HPGD (0.46) ALDH1A1RAB9AALOX5NPC1HPGD
SCHEMBL5516780 0.84 ALOX5 (0.45) ALDH1A1RAB9AALOX5NPC1HPGD
SCHEMBL5474569 0.83 ALOX5 (0.56) ALDH1A1RAB9AALOX5NPC1HPGD
SCHEMBL27347277 0.83 ALOX5 (0.47) ALDH1A1RAB9AALOX5NPC1HPGD
SCHEMBL658090 0.82 CES2 (0.46) ALDH1A1RAB9AALOX5NPC1HPGD
SCHEMBL5179686 0.82 ALOX5 (0.44) ALDH1A1RAB9AALOX5NPC1HPGD
SCHEMBL5166330 0.81 CYP2C19 (0.49) ALDH1A1RAB9AALOX5NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114891838-B Synthesis method of dorzolamide hydrochloride intermediate (S) -3- (2-thiophenyl) -butyric acid 株洲壹诺生物技术有限公司 2023-09-08 CN claimed
CN-114891838-B Synthesis method of dorzolamide hydrochloride intermediate (S) -3- (2-thiophenyl) -butyric acid 株洲壹诺生物技术有限公司 2023-09-08 CN disclosed
CN-114891838-B Synthesis method of dorzolamide hydrochloride intermediate (S) -3- (2-thiophenyl) -butyric acid 株洲壹诺生物技术有限公司 2023-09-08 CN disclosed
CN-114891838-B Synthesis method of dorzolamide hydrochloride intermediate (S) -3- (2-thiophenyl) -butyric acid 株洲壹诺生物技术有限公司 2023-09-08 CN disclosed
CN-114891838-A Synthesis method of dorzolamide hydrochloride intermediate (S) -3- (2-thiophenylthio) -butyric acid 株洲壹诺生物技术有限公司 2022-08-12 CN disclosed
CN-114891838-A Synthesis method of dorzolamide hydrochloride intermediate (S) -3- (2-thiophenylthio) -butyric acid 株洲壹诺生物技术有限公司 2022-08-12 CN disclosed
CN-102566269-B Coloured composition, colour filter and display element JSR株式会社 2016-06-15 CN disclosed
EP-2755645-A1 PHARMACEUTICAL COMBINATIONS INCLUDING ANTI-INFLAMMATORY AND ANTIOXIDANT CONJUGATES USEFUL FOR TREATING METABOLIC DISORDERS Genmedica Therapeutics SL (ES) 2014-07-23 EP disclosed
US-8765984-B2 Methods and systems for making thiol compounds from terminal olefinic compounds CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-07-01 US disclosed
WO-2013037985-A1 PHARMACEUTICAL COMBINATIONS INCLUDING ANTI-INFLAMMATORY AND ANTIOXIDANT CONJUGATES USEFUL FOR TREATING METABOLIC DISORDERS GENMEDICA THERAPUTICS SL (ES) 2013-03-21 WO disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
US-6825358-B2 AS ORGANIC SEMICONDUCTORS CAN BE DISSOLVED IN COMMON ORGANIC SOLVENTS AND APPLIED TO THE SURFACE OF A SUBSTRATE USING INEXPENSIVE, LOW-TEMPERATURE SOLUTION-BASED PROCESSING SUCH AS SPIN-COATING, DIP-COATING, DROP-CASTING, ETC. INTERNATIONAL BUSINESS MACHINES CORPORATION 2004-11-30 US disclosed
US-6414164-B1 LOW COST, LOW TEMPERATURE ALTERNATIVES TO AMORPHOUS SILICON AS SEMICONDUCTING COMPONENT IN THIN FILM TRANSISTOR DEVICES INTERNATIONAL BUSINESS MACHINES CORPORATION 2002-07-02 US disclosed
US-20020072618-A1 Synthesis of soluble derivatives of sexithiophene and their use as the semiconducting channels in thin-film field-effect transistors GLOBALFOUNDRIES U.S. INC. 2002-06-13 US disclosed
CN-1053904-C Novel N-pyridyl carboxamides and derivatives, processes for their preparation and the pharmaceutical compositions which contain them ADIR (FR) 2000-06-28 CN disclosed
US-5843947-A N-pyridyl carboxamides and derivatives ADIR ET COMPAGNIE (FR) 1998-12-01 US disclosed
US-5712294-A N-pyridyl carboxamides and derivatives ADIR ET COMPAGNIE (FR) 1998-01-27 US disclosed
CN-1121074-A Novel N-pyridyl carboxamides and derivatives, processes for their preparation and the pharmaceutical compositions which contain them ADIR (FR) 1996-04-24 CN disclosed
US-5177096-A Angiotensin II receptor antagonist SMITHKLINE BEECHAM CORPORATION (US) 1993-01-05 US disclosed
US-4352753-A 3-[[(2,3-Dihydro-1H-indol-2-yl)carbonyl]thio]propanoic (and acetic) acids as intermediates AMERICAN HOME PRODUCTS CORPORATION (US) 1982-10-05 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 (2 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-20020072618-A1 Synthesis of soluble derivatives of sexithiophene and their use as the semiconducting channels in thin-film field-effect transistors SLC43A1, GFPT1, PHOSPHO1 ALDH1A1 3675/4885RAB9A 3027/4885ALOX5 2508/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 ALDH1A1 4132/4885RAB9A 2496/4885ALOX5 829/4885

“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.