SCHEMBL9976767

SCHEMBL9976767

CC(=O)c1cccc(SSSSc2cccc(C(=O)O)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2C9 P11712 1/20 0.70
HSD17B10 Q99714 1/20 0.70
APEX1 P27695 1/20 0.51
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C1 Q04828 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CREBBP Q92793 2/20 0.42

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
SCHEMBL2801844 0.91 CYP1A2 (0.84) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL69064 0.83 CYP1A2 (1.00) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL29380400 0.83 CYP1A2 (1.00) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL29902348 0.81 CA12 (0.58) HPGDCYP1A2CYP2C9HSD17B10AKR1C3
SCHEMBL246827 0.81 CA12 (0.58) HPGDCYP1A2CYP2C9HSD17B10AKR1C3
SCHEMBL27957709 0.77 ALDH1A1 (0.59) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL4957430 0.77 HSD17B10 (0.65) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL1162110 0.77 HSD17B10 (0.66) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL28447751 0.77 CYP1A2 (0.85) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL6948021 0.77 ALDH1A1 (0.69) HPGDCYP1A2CYP2C9HSD17B10APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202997-B2 Compositions and methods for treating or preventing hypoxic or ischemic injury IKARIA, INC. (US) 2012-06-19 US disclosed
US-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-05-27 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 (1 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-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY HIF1AN, HIF1A, HYOU1 HPGD 26/4885CYP1A2 2503/4885CYP2C9 2318/4885

“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.