SCHEMBL9976773

SCHEMBL9976773

Cc1ccc(CSSSSCc2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
RAB9A P51151 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ACHE P22303 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
AGXT P21549 2/20 0.41
BCHE P06276 4/20 0.40
ALDH1A1 P00352 3/20 0.40
RECQL P46063 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL4260106 0.95 IDO1 (0.50) IDO1RAB9ACYP1A2CYP2A6TAAR1
SCHEMBL13430587 0.91 IDO1 (0.44) IDO1RAB9ACYP1A2CYP2A6TAAR1
SCHEMBL2802287 0.89 IDO1 (0.54) IDO1RAB9ACYP1A2CYP2A6TAAR1
SCHEMBL9976774 0.89 BCHE (0.54) IDO1RAB9AACHEBCHEALDH1A1
SCHEMBL9976775 0.89 ACHE (0.54) IDO1RAB9ACYP1A2CYP2A6TAAR1
SCHEMBL17752846 0.80 ACHE (0.53) IDO1ACHETDP1BCHEALDH1A1
SCHEMBL9976771 0.78 BCHE (0.58) IDO1RAB9AACHEBCHEALDH1A1
SCHEMBL915196 0.78 IDO1 (0.54) IDO1RAB9ACYP1A2CYP2A6TAAR1
SCHEMBL515186 0.76 MAPT (0.56) IDO1RAB9ACYP1A2CYP2A6TAAR1
SCHEMBL9976791 0.74 ALDH1A1 (0.50) IDO1RAB9ACYP1A2TDP1ALDH1A1

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-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
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 IDO1 935/4885RAB9A 2508/4885CYP1A2 2503/4885

“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.