SCHEMBL3390734

SCHEMBL3390734

CCCCSc1cccc([C@H](O)CCN)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
LTB4R Q15722 3/20 0.40
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.35
GMNN O75496 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 1/20 0.35
HPGD P15428 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL1710869 1.00 MAOA (0.41) MAOAMAOBLTB4RMAPK1TP53
SCHEMBL13459732 0.84 MAOA (0.46) MAOAMAOBALOX5LNPEPAR
SCHEMBL13459737 0.83 ALDH1A1 (0.42) LTB4RCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL1710423 0.83 CYSLTR2 (0.39) MAOAMAOBCYP1A2CYP3A4CYP2C9
SCHEMBL1710659 0.82 LTB4R (0.37) MAOALTB4RHIF1ALMNA
SCHEMBL1710518 0.82 MAOA (0.37) MAOALTB4RHIF1AALDH1A1LMNA
SCHEMBL1710764 0.81 MCL1 (0.44) MAOAMAOBCYP1A2CYP3A4CYP2C9
SCHEMBL11082671 0.80 MAOA (0.45) MAOAMAOBLNPEPAR
SCHEMBL1710306 0.80 AR (0.42) MAOAMAOBLTB4RCYP3A4CYP2C9
SCHEMBL3388393 0.79 LTB4R (0.33) LTB4RHIF1ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 MAOA 3658/4885MAOB 2402/4885LTB4R 468/4885

“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.