SCHEMBL9034256

SCHEMBL9034256

CC(=O)OC(=O)C(S)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
SRC P12931 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.39
CYP2D6 P10635 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPK1 P28482 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL329047 0.80 L3MBTL1 (0.53) KMT2AALDH1A1CYP3A4CYP2D6L3MBTL1
SCHEMBL9182949 0.80 KMT2A (0.64) KMT2ASRCALDH1A1LMNA
SCHEMBL7867126 0.79 L3MBTL1 (0.45) KMT2ASRCALDH1A1L3MBTL1ATM
SCHEMBL1040186 0.78 LMNA (0.54) KMT2ASRCALDH1A1CYP3A4HPGD
SCHEMBL378836 0.78 LMNA (0.54) KMT2ASRCALDH1A1CYP3A4HPGD
SCHEMBL2761810 0.78 LMNA (0.54) KMT2ASRCALDH1A1CYP3A4HPGD
SCHEMBL4202325 0.78 KMT2A (0.47) KMT2AALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL10527197 0.78 KMT2A (0.47) KMT2AALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL27512797 0.78 SRC (0.48) KMT2ASRCCYP2D6L3MBTL1ATM
SCHEMBL7343000 0.77 CYP2D6 (0.46) KMT2ASRCALDH1A1CYP3A4HPGD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0362902-B1 Process and intermediates for beta-lactam antibiotics HARVARD COLLEGE (US) 1996-01-17 EP disclosed
US-5091525-A 7beta- 2'-(R)-2'-(p-hydroxyphenyl-2'-amino-acetamido!-3-chloro -3-(1-carbadethiacephem)-4-carboxylic acid ELI LILLY AND COMPANY (US) 1992-02-25 US disclosed
EP-0209352-B1 PROCESS AND INTERMEDIATES FOR BETA-LACTAM ANTIBIOTICS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1991-05-02 EP disclosed
EP-0362902-A2 Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1990-04-11 EP disclosed
US-4870169-A Intermediates for beta-lactam antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-09-26 US disclosed
US-4820816-A 3-trifuoromethylsulfonyloxy-substituted 1-carbacephalosporins as intermediates for antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-04-11 US disclosed
US-4778884-A REACTING TRIFLUOROMETHYLSULFONYLOXY COMPOUND WITH LITHIUM HALIDE IN APROTIC POLAR SOLVENT PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 1988-10-18 US disclosed
US-4775752-A Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1988-10-04 US disclosed
US-4734495-A Process and intermediates for beta-lactam antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1988-03-29 US disclosed
US-4673737-A ANTIBIOTICS/ HARVARD UNIVERSITY (US) 1987-06-16 US disclosed
US-4665171-A CARBACEPHALOSPORINS HARVARD UNIVERSITY (US) 1987-05-12 US disclosed
EP-0211540-A1 Intermediates and process for antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1987-02-25 EP disclosed
EP-0209352-A2 Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1987-01-21 EP disclosed