SCHEMBL97778

SCHEMBL97778

N#CCCSSCCC#N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 4/20 0.39
LOX P28300 1/20 0.39
LOXL3 P58215 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CYP3A4 P08684 1/20 0.39
ESR1 P03372 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MCL1 Q07820 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.32
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL6548307 0.86 ALDH1A1 (0.44) ALDH1A1TDP1TSHRLOXLOXL3
SCHEMBL11170147 0.86 ALDH1A1 (0.44) ALDH1A1TDP1TSHRLOXLOXL3
SCHEMBL18665263 0.85
SCHEMBL14775080 0.85 TSHR (0.39) ALDH1A1TDP1TSHRLOXLOXL3
SCHEMBL19257635 0.81
SCHEMBL10107013 0.79 TSHR (0.62) ALDH1A1TDP1TSHRMAPTHSD17B10
SCHEMBL361130 0.77
SCHEMBL97811 0.75 MCL1 (0.41) ALDH1A1TSHRMCL1
SCHEMBL31506420 0.74 ALDH1A1 (0.33) ALDH1A1TDP1TSHRESR1MAPT
SCHEMBL2991686 0.74 ALDH1A1 (0.47) ALDH1A1TDP1TSHRLOXLOXL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009156622-A1 ABSORBING SOLUTION CONTAINING A SULPHURATED ORGANIC DEGRADATION INHIBITOR AND METHOD FOR LIMITING THE DEGRADATION OF AN ABSORBING SOLUTION IFP (FR) 2009-12-30 WO claimed
JP-7291921-A None JP disclosed
EP-4658664-A1 CAP ANALOGS WITH 5'-TERMINAL ACYCLIC GUANOSINE DERIVATIVE CureVac SE (DE) 2025-12-10 EP disclosed
WO-2024160895-A1 CAP ANALOGS WITH 5'-TERMINAL ACYCLIC GUANOSINE DERIVATIVE CureVac SE (DE) 2024-08-08 WO disclosed
US-20240229026-A1 CHIRAL CONTROL WAVE LIFE SCIENCES LTD. (SG) 2024-07-11 US disclosed
WO-2023224190-A1 ADDITIVE, ELECTROLYTE COMPRISING SAME FOR LITHIUM SECONDARY BATTERY, POSITIVE ELECTRODE, AND LITHIUM SECONDARY BATTERY 삼성에스디아이 주식회사 2023-11-23 WO disclosed
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 US disclosed
EP-4219516-A2 CHIRAL CONTROL Wave Life Sciences Ltd. (SG) 2023-08-02 EP disclosed
US-11643657-B2 Chiral control WAVE LIFE SCIENCES LTD. (SG) 2023-05-09 US disclosed
US-11634710-B2 Oligonucleotide compositions and methods thereof WAVE LIFE SCIENCES LTD. (SG) 2023-04-25 US disclosed
JP-H07291921-A PREPARATION OF 3-MERCAPTOPROPIONITRILE AND 3-MERCAPTOPROPIONIC ACID HAMPSHIRE CHEM CORP 1995-11-07 JP disclosed
EP-0677512-A1 Process for the preparation of 3-mercapto-propion-nitrile and 3-mercapto-propionic acid HAMPSHIRE CHEMICAL CORPORATION (US) 1995-10-18 EP disclosed
US-5391820-A Preparation of 3-mercaptopropionitrile and 3-mercaptopropionic acid HAMPSHIRE CHEMICAL CORP. (US) 1995-02-21 US disclosed
EP-0235452-B1 ORGANIC COMPOUNDS AND THEIR PHARMACEUTICAL USE LILLY INDUSTRIES LIMITED (GB) 1992-03-18 EP disclosed
US-4845110-A Organic compounds and their pharmaceutical use LILLY INDUSTRIES LIMITED (GB) 1989-07-04 US disclosed
EP-0235452-A2 Organic compounds and their pharmaceutical use LILLY INDUSTRIES LIMITED (GB) 1987-09-09 EP disclosed
US-4167575-A BIOCIDES ROHM AND HAAS COMPANY (US) 1979-09-11 US disclosed
US-4082808-A ANTIOXIDANTS, INTERMEDIATES FOR POLYESTERS, POLYCARBONATES, EPOXY RESINS GENERAL ELECTRIC COMPANY (US) 1978-04-04 US disclosed
US-4053479-A BIOCIDES ROHM AND HAAS COMPANY (US) 1977-10-11 US disclosed
US-3957808-A BIOCIDES ROHM AND HAAS COMPANY (US) 1976-05-18 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 (4 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-11718638-B2 Compounds, compositions and methods for synthesis ALKBH1, DUT, RNGTT ALDH1A1 2134/4885TDP1 366/4885TSHR 3918/4885
US-20240229026-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 ALDH1A1 2867/4885TDP1 924/4885TSHR 3259/4885
US-11643657-B2 Chiral control RNGTT, POLI, NSUN3 ALDH1A1 2867/4885TDP1 924/4885TSHR 3259/4885
US-11634710-B2 Oligonucleotide compositions and methods thereof RBM17, HNRNPA2B1, HNRNPA1 ALDH1A1 3613/4885TDP1 214/4885TSHR 3181/4885

“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.