SCHEMBL9976777

SCHEMBL9976777

CC(=O)c1cccc(CSSSSCc2cccc(C(=O)O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 1/20 0.52
FOLH1 Q04609 1/20 0.51
MRGPRX4 Q96LA9 4/20 0.51
AR P10275 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ANPEP P15144 1/20 0.47
ENPEP Q07075 1/20 0.47
MAOB P27338 1/20 0.47
EPHX1 P07099 2/20 0.46
TP53 P04637 2/20 0.44
PKM P14618 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 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
SCHEMBL9976790 0.92 FOLH1 (0.59) SMN1; SMN2HTTFOLH1MRGPRX4AR
SCHEMBL39841 0.79 SMN1; SMN2 (0.56) SMN1; SMN2HTTFOLH1MRGPRX4AR
SCHEMBL20342670 0.78 EPHX1 (0.51) SMN1; SMN2HTTMRGPRX4RAB9ANPC1
SCHEMBL46936 0.78 FOLH1 (0.59) SMN1; SMN2HTTFOLH1MRGPRX4AR
SCHEMBL39630 0.78 FOLH1 (0.63) SMN1; SMN2HTTFOLH1MRGPRX4AR
SCHEMBL29902348 0.77 CA12 (0.58) FOLH1CYP1A2CYP2C9
SCHEMBL246827 0.77 CA12 (0.58) FOLH1CYP1A2CYP2C9
SCHEMBL28544976 0.75 FOLH1 (0.59) SMN1; SMN2HTTFOLH1MRGPRX4AR
SCHEMBL27326766 0.75 FOLH1 (0.59) SMN1; SMN2HTTFOLH1MRGPRX4AR
SCHEMBL13307547 0.74 MAOB (0.51) FOLH1MRGPRX4RAB9ANPC1CYP1A2

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 SMN1; SMN2 85/4885HTT 2777/4885FOLH1 1901/4885

“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.