SCHEMBL16264703

SCHEMBL16264703

O=C(CSc1ncccc1C(=O)O)Nc1cc(F)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KMT2A Q03164 3/20 0.59
POLB P06746 2/20 0.59
HPGD P15428 2/20 0.59
MEN1 O00255 1/20 0.59
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
TP53 P04637 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL17622467 0.89 TP53 (0.58) ALDH1A1KMT2APOLBHPGDMEN1
SCHEMBL17622716 0.86 ALDH1A1 (0.80) ALDH1A1KMT2APOLBHPGDMEN1
SCHEMBL17622778 0.85 MEN1 (0.66) ALDH1A1KMT2APOLBHPGDMEN1
SCHEMBL17622826 0.83 TDP1 (0.65) ALDH1A1KMT2APOLBHPGDMEN1
SCHEMBL17622904 0.80 ALDH1A1 (0.59) ALDH1A1KMT2APOLBHPGDMEN1
SCHEMBL17622804 0.78 TDP1 (0.67) ALDH1A1KMT2APOLBHPGDMEN1
SCHEMBL1514827 0.78 TDP1 (0.64) ALDH1A1KMT2APOLBHPGDMEN1
SCHEMBL17622776 0.78 TP53 (0.72) ALDH1A1KMT2APOLBHPGDMEN1
SCHEMBL17622903 0.77 ALDH1A1 (0.59) ALDH1A1KMT2APOLBHPGDMEN1
SCHEMBL17622468 0.77 ALDH1A1 (0.58) ALDH1A1KMT2APOLBHPGDMEN1

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
EP-3000807-B1 MERCAPTONICOTINIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF ACAD OF MILITARY MEDICAL SCIENCES (CN) 2021-04-21 EP disclosed
US-10035771-B2 Mercaptonicotinic acid compound and preparation method and use thereof INSTITUTE OF MICROBIOLOGY AND EPIDEMIOLOGY, ACADEMY OF MILITARY MEDICAL SCIENCES, PR CHINA (CN) 2018-07-31 US disclosed
EP-3000807-A1 MERCAPTONICOTINIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF Institute of Microbiology and Epidemiology, Academy of Military Medical Sciences, PR China (CN) 2016-03-30 EP disclosed
US-20160083347-A1 MERCAPTONICOTINIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF INSTITUTE OF MICROBIOLOGY AND EPIDEMIOLOGY, ACADEMY OF MILITARY MEDICAL SCIENCES, PR CHINA (CN) 2016-03-24 US disclosed
WO-2014187291-A1 MERCAPTONICOTINIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF 中国人民解放军军事医学科学院微生物流行病研究所 (CN) 2014-11-27 WO 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-20160083347-A1 MERCAPTONICOTINIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF PREP, ENGASE, ADAMTS13 ALDH1A1 1549/4885KMT2A 3401/4885POLB 3785/4885
US-10035771-B2 Mercaptonicotinic acid compound and preparation method and use thereof PREP, ENGASE, ADAMTS13 ALDH1A1 1549/4885KMT2A 3401/4885POLB 3785/4885

“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.