SCHEMBL2801844

SCHEMBL2801844

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

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.84
CYP2C9 P11712 1/20 0.84
HPGD P15428 1/20 0.84
HSD17B10 Q99714 1/20 0.84
APEX1 P27695 1/20 0.59
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
KMO O15229 1/20 0.48
UNG P13051 1/20 0.47
FOLH1 Q04609 2/20 0.46
DAO P14920 1/20 0.46
TSHR P16473 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
AKR1C3 P42330 1/20 0.46
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL69064 0.91 CYP1A2 (1.00) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL29380400 0.91 CYP1A2 (1.00) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL9976767 0.91 HPGD (0.70) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL28447751 0.84 CYP1A2 (0.85) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL9315801 0.84 CYP1A2 (0.85) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL31383422 0.83 CYP1A2 (0.76) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL2406839 0.83 CYP1A2 (0.76) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL8712530 0.81 HSD17B10 (0.73) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL9314163 0.80 HSD17B10 (0.76) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL8712966 0.79 HSD17B10 (0.70) CYP1A2CYP2C9HPGDHSD17B10APEX1

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 7 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-8202997-B2 Compositions and methods for treating or preventing hypoxic or ischemic injury IKARIA, INC. (US) 2012-06-19 US disclosed
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
US-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-05-27 US disclosed
US-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-05-27 US disclosed
WO-2010045582-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-04-22 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 (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 CYP1A2 2503/4885CYP2C9 2318/4885HPGD 26/4885

“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.