SCHEMBL9976772

SCHEMBL9976772

Cc1cccc(CSSSSCc2cccc(C)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
IDO1 P14902 2/20 0.48
ACHE P22303 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 2/20 0.45
PSMD14 O00487 1/20 0.45
AGTR1 P30556 1/20 0.45
OPRK1 P41145 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.44
DAO P14920 1/20 0.43
CYP3A4 P08684 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
SCHEMBL4267674 0.96 TAAR1 (0.55) TAAR1IDO1ACHEMEN1KMT2A
SCHEMBL2804525 0.91 TAAR1 (0.58) TAAR1IDO1ACHEMEN1KMT2A
SCHEMBL9976778 0.89 TAAR1 (0.50) TAAR1IDO1ACHEMEN1KMT2A
SCHEMBL9976779 0.89 IDO1 (0.46) TAAR1IDO1LMNAMAPTCYP3A4
SCHEMBL29706002 0.82 ALDH1A1 (0.60) TAAR1IDO1ACHEMEN1KMT2A
SCHEMBL10964126 0.82 ALDH1A1 (0.60) TAAR1IDO1ACHEMEN1KMT2A
SCHEMBL9976769 0.80 TAAR1 (0.49) TAAR1IDO1LMNAMAPTCYP3A4
SCHEMBL1145610 0.80 TAAR1 (0.56) TAAR1IDO1ACHEMEN1KMT2A
SCHEMBL23158982 0.78 TAAR1 (0.55) TAAR1IDO1ACHEMEN1KMT2A
SCHEMBL1145608 0.78 TAAR1 (0.55) TAAR1IDO1ACHEMEN1KMT2A

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 TAAR1 3367/4885IDO1 935/4885ACHE 1802/4885

“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.