SCHEMBL36127

SCHEMBL36127

CCCCCCc1ccc(-c2ccc(C=O)nc2-c2ccsc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
RARA P10276 1/20 0.37
MTOR P42345 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
LMNA P02545 1/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL35606 0.82 ALDH1A1 (0.41) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL35961 0.78 PLA2G4A (0.48) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL35933 0.75 S1PR3 (0.67) S1PR4S1PR1S1PR3S1PR5
SCHEMBL5990708 0.75 HSD17B10 (0.54) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL142335 0.75 HSD17B10 (0.54) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL5412587 0.75 HSD17B10 (0.54) RARBALDH1A1MEN1MAPTKMT2A
Thiophene SCHEMBL1882304 0.70 HSD17B10 (0.49) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL2831999 0.70 S1PR3 (0.55) ALDH1A1MAPTLMNATP53ADORA2A
SCHEMBL28244556 0.69 RARB (0.50) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL28598909 0.68 RARB (0.46) RARBALDH1A1MEN1MAPTKMT2A

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-8513220-B2 Aromatic compounds having sphingosine-1-phosphonate (S1P) receptor activity ALLERGAN, INC. (US) 2013-08-20 US disclosed
EP-2569322-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY Allergan, Inc. (US) 2013-03-20 EP disclosed
US-20130018019-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2013-01-17 US disclosed
WO-2011143332-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2011-11-17 WO disclosed
US-20110281822-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2011-11-17 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 (2 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-20130018019-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY S1PR1, S1PR3, S1PR2 RARB 1621/4885ALDH1A1 2617/4885MEN1 2735/4885
US-20110281822-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY S1PR1, S1PR3, S1PR2 RARB 1621/4885ALDH1A1 2617/4885MEN1 2735/4885

“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.