SCHEMBL106017

SCHEMBL106017

CC1=C(C(=O)O)N2C(=O)C(N)C2SC1

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
SCHEMBL3989912 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
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 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3965098-A Intermediates for preparing cephalosporins and methods of production AMERICAN HOME PRODUCTS CORPORATION (US) 1976-06-22 US claimed
US-12535484-B2 Autoantibodies and autoantibody-autoantigen complexes as biomarkers of small cell lung cancer FRED HUTCHINSON CANCER CENTER (US) 2026-01-27 US disclosed
US-12344653-B2 Antigen binding molecules for small cell lung cancer FRED HUTCHINSON CANCER CENTER (US) 2025-07-01 US disclosed
CN-118308392-A Preparation method and application of G-7-ADCA producing strain 中国科学院天津工业生物技术研究所 2024-07-09 CN disclosed
CN-118185913-A Paracoccus-derived amidase and application of mutant thereof 河北科技大学 2024-06-14 CN disclosed
US-20220235093-A1 BILE SALT HYDROLASE PROBE AND METHOD OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2022-07-28 US disclosed
CN-112852913-B Deacetoxycephalosporin C synthetase mutant and application thereof in synthesis of beta-lactam antibiotic parent nucleus 中国科学院天津工业生物技术研究所 2021-12-10 CN disclosed
US-11155573-B2 Bile salt hydrolase probe and method of making and using the same BATTELLE MEMORIAL INSTITUTE (US) 2021-10-26 US disclosed
CN-112479909-B Extraction and recovery method of p-hydroxyphenylglycine 河南大学 2021-10-12 CN disclosed
CN-112852913-A Deacetoxycephalosporin C synthetase mutant and application thereof in synthesis of beta-lactam antibiotic parent nucleus 中国科学院天津工业生物技术研究所 2021-05-28 CN disclosed
US-4118562-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1978-10-03 US disclosed
US-4109084-A ANTIBIOTICS, BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1978-08-22 US disclosed
US-4093802-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-06-06 US disclosed
US-4093804-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-06-06 US disclosed
US-4045438-A Cephalosporin antibiotics YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1977-08-30 US disclosed
US-4031083-A Cephalosporin antibiotics YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1977-06-21 US disclosed
US-4026887-A Cephalosporin antibiotics YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1977-05-31 US disclosed
US-3994875-A CEPHALOSPORINS, PENICILLINS YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-11-30 US disclosed
US-3975385-A 7-Trichloroacetamido-3-desacetoxy-cephalosporanic acid esters RHONE-POULENC S.A. (FR) 1976-08-17 US disclosed
US-3948904-A ANTIBIOTICS YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-04-06 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-12535484-B2 Autoantibodies and autoantibody-autoantigen complexes as biomarkers of small cell lung cancer SNAP23, SMPD3, SPCS3 HSD17B10 3478/4885KDM4E 3610/4885TDP1 1545/4885
US-11155573-B2 Bile salt hydrolase probe and method of making and using the same BCHE, NR1H4, NCEH1 HSD17B10 156/4885KDM4E 3388/4885TDP1 1299/4885
US-20220235093-A1 BILE SALT HYDROLASE PROBE AND METHOD OF MAKING AND USING THE SAME BCHE, NR1H4, NCEH1 HSD17B10 156/4885KDM4E 3388/4885TDP1 1299/4885

“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.