SCHEMBL3989912

SCHEMBL3989912

CC1=C(C(=O)O)N2C(=O)C(N)[C@H]2SC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.60
KDM4E B2RXH2 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
TSHR P16473 1/20 0.60
CACNA1B Q00975 3/20 0.53
APBA1 Q02410 3/20 0.53
MAPK1 P28482 2/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 4/20 0.52
CYP2C19 P33261 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SLC15A2 Q16348 2/20 0.52
BLM P54132 2/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 1/20 0.52
ADRA1A P35348 1/20 0.52
HTR2B P41595 1/20 0.52
MEN1 O00255 3/20 0.50
ESR1 P03372 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50

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
SCHEMBL9755513 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
SCHEMBL10781630 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
SCHEMBL10781628 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
SCHEMBL3989914 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
SCHEMBL8714724 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
SCHEMBL6275649 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
SCHEMBL106017 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
SCHEMBL9755481 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
Hydrochloric Acid SCHEMBL9344359 0.98 HSD17B10 (0.59) HSD17B10KDM4ETDP1TSHRCACNA1B
Hydrochloric Acid SCHEMBL11483489 0.98 HSD17B10 (0.59) HSD17B10KDM4ETDP1TSHRCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187209-B1 PROCESS FOR THE PREPARATION OF CEPHALOSPORINS F. HOFFMANN-LA ROCHE AG (CH) 1992-01-08 EP claimed
US-4716227-A Process for manufacturing cephalosporin esters HOFFMANN-LA ROCHE INC. (US) 1987-12-29 US claimed
EP-0187209-A2 Process for the preparation of cephalosporins F. HOFFMANN-LA ROCHE AG (CH) 1986-07-16 EP claimed
US-3932392-A DICYCLOHEXYLAMINE, DIISOPROPYLAMINE BRISTOL-MYERS COMPANY (US) 1976-01-13 US claimed
JP-59076087-A None JP disclosed
JP-58088386-A None JP disclosed
US-20090221815-A1 PROCESSES FOR THE PREPARATION OF CEPHEM DERIVATIVES CJ CHEILJEDANG CORPORATION (KR) 2009-09-03 US disclosed
US-7544797-B2 Processes for the preparation of cephem derivatives CJ CHEILJEDANG CORPORATION (KR) 2009-06-09 US disclosed
EP-1678186-A4 PROCESSES FOR THE PREPARATION OF CEPHEM DERIVATIVES CJ CORP (KR) 2007-04-25 EP disclosed
US-20070060747-A1 Processes for the preparation of cephem derivatives CJ CORPORATION (KR) 2007-03-15 US disclosed
EP-1678186-A1 PROCESSES FOR THE PREPARATION OF CEPHEM DERIVATIVES CJ Corporation (KR) 2006-07-12 EP disclosed
WO-2005042543-A1 PROCESSES FOR THE PREPARATION OF CEPHEM DERIVATIVES CJ CORPORATION (KR) 2005-05-12 WO disclosed
US-3944545-A Process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1976-03-16 US disclosed
US-3943127-A BACTERICIDES SMITHKLINE CORPORATION (US) 1976-03-09 US disclosed
US-3943128-A BACTERICIDES SMITHKLINE CORPORATION (US) 1976-03-09 US disclosed
US-3939266-A BACTERICIDE SMITHKLINE CORPORATION (US) 1976-02-17 US disclosed
US-3932392-A DICYCLOHEXYLAMINE, DIISOPROPYLAMINE BRISTOL-MYERS COMPANY (US) 1976-01-13 US disclosed
US-3932392-A DICYCLOHEXYLAMINE, DIISOPROPYLAMINE BRISTOL-MYERS COMPANY (US) 1976-01-13 US disclosed
US-3932465-A ANTIBIOTIC CIBA-GEIGY CORPORATION (US) 1976-01-13 US disclosed
US-3873523-A Derivatives of ampicillin PARKE DAVIS & CO 1975-03-25 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-20070060747-A1 Processes for the preparation of cephem derivatives CEP170, HAMP, NISCH HSD17B10 1307/4885KDM4E 3237/4885TDP1 3736/4885
US-20090221815-A1 PROCESSES FOR THE PREPARATION OF CEPHEM DERIVATIVES CEP170, HAMP, NISCH HSD17B10 1307/4885KDM4E 3237/4885TDP1 3736/4885

“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.