SCHEMBL9976776

SCHEMBL9976776

Cc1ccccc1CSSSSCc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CHRM2 P08172 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 2/20 0.42
CYP2A13 Q16696 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL775626 0.90 TAAR1 (0.50) TAAR1SMN1; SMN2CHRM2PTGS1PTGS2
SCHEMBL9976781 0.88 ALDH1A1 (0.44) TAAR1SMN1; SMN2CHRM2PTGS1PTGS2
SCHEMBL24110191 0.80 LMNA (0.49) TAAR1SMN1; SMN2CHRM2PTGS1PTGS2
SCHEMBL777337 0.80 ALDH1A1 (0.56) TAAR1SMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL29308265 0.79 LMNA (0.44) TAAR1SMN1; SMN2CHRM2PTGS1PTGS2
SCHEMBL1145830 0.78 TAAR1 (0.48) TAAR1SMN1; SMN2CHRM2PTGS1PTGS2
SCHEMBL11275618 0.77 PTGS1 (0.42) TAAR1SMN1; SMN2CHRM2PTGS1PTGS2
SCHEMBL21654563 0.76 TAAR1 (0.46) TAAR1SMN1; SMN2CHRM2PTGS1PTGS2
SCHEMBL8757216 0.76 TAAR1 (0.46) TAAR1SMN1; SMN2CHRM2PTGS1PTGS2
SCHEMBL1145828 0.76 TAAR1 (0.46) TAAR1SMN1; SMN2CHRM2PTGS1PTGS2

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 3367/4885SMN1; SMN2 85/4885CHRM2 620/4885

“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.