SCHEMBL13257581

SCHEMBL13257581

CCCCCCCC1CCSS1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.55
KMT2A Q03164 2/20 0.55
TARDBP Q13148 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP2C9 P11712 1/20 0.55
MEN1 O00255 1/20 0.55
NR1I2 O75469 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
TSHR P16473 1/20 0.55
ACHE P22303 1/20 0.55
APEX1 P27695 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SAE1 Q9UBE0 1/20 0.55
UBA2 Q9UBT2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL14071038 1.00 HSD17B10 (0.55) HSD17B10KMT2ATARDBPALDH1A1CYP2C9
SCHEMBL26728265 1.00 HSD17B10 (0.55) HSD17B10KMT2ATARDBPALDH1A1CYP2C9
SCHEMBL26803177 1.00 HSD17B10 (0.55) HSD17B10KMT2ATARDBPALDH1A1CYP2C9
SCHEMBL14179806 1.00 HSD17B10 (0.55) HSD17B10KMT2ATARDBPALDH1A1CYP2C9
SCHEMBL26728250 1.00 HSD17B10 (0.55) HSD17B10KMT2ATARDBPALDH1A1CYP2C9
SCHEMBL26728273 1.00 HSD17B10 (0.55) HSD17B10KMT2ATARDBPALDH1A1CYP2C9
SCHEMBL25623600 0.98 HSD17B10 (0.56) HSD17B10KMT2ATARDBPALDH1A1CYP2C9
SCHEMBL7916683 0.98 HSD17B10 (0.56) HSD17B10KMT2ATARDBPALDH1A1CYP2C9
SCHEMBL13931708 0.98 HSD17B10 (0.56) HSD17B10KMT2ATARDBPALDH1A1CYP2C9
SCHEMBL13784211 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346744-A1 SULFUR-CONTAINING COMPOUND USEFUL FOR TREATING OR PREVENTING PRESBYOPIA SANTEN PHARMACEUTICAL CO., LTD. (JP) 2023-11-02 US disclosed
WO-2021241582-A1 SULFUR-CONTAINING COMPOUND USEFUL FOR TREATING OR PREVENTING PRESBYOPIA 参天製薬株式会社 2021-12-02 WO disclosed
US-20100173936-A1 Compositions comprising renin-angiotensin aldosterone system inhibitors and lipoic acid compounds, and the use thereof for the treatment of renin-angiotensin aldosterone system-related disorders CARMEL BIOSCIENCES, INC. 2010-07-08 US disclosed
US-20080149097-A1 Beta-agonist compounds comprising nitric oxide donor groups and reactive oxygen species scavenger groups and their use in the treatment of respiratory disordersB YISSUM RESEARCH DEVELOPMENT COMPANY OF HEBREW UNIVERSITY OF JERUSALEM (IL) 2008-06-26 US disclosed
US-7378438-B2 Beta-agonist compounds comprising nitric oxide donor groups and reactive oxygen species scavenger groups and their use in the treatment of respiratory disorders YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2008-05-27 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-20100173936-A1 Compositions comprising renin-angiotensin aldosterone system inhibitors and lipoic acid compounds, and the use thereof for the treatment of renin-angiotensin aldosterone system-related disorders REN, ACE, AGT HSD17B10 81/4885KMT2A 4366/4885TARDBP 4028/4885
US-20230346744-A1 SULFUR-CONTAINING COMPOUND USEFUL FOR TREATING OR PREVENTING PRESBYOPIA CBS, PSEN1, PSEN2 HSD17B10 1875/4885KMT2A 3172/4885TARDBP 1808/4885
US-20080149097-A1 Beta-agonist compounds comprising nitric oxide donor groups and reactive oxygen species scavenger groups and their use in the treatment of respiratory disordersB ADRA2B, ADRA1B, ADRB1 HSD17B10 937/4885KMT2A 4576/4885TARDBP 3074/4885

“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.