SCHEMBL1900362

SCHEMBL1900362

CCCc1ccccc1C(=O)S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.48
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
KDR P35968 1/20 0.41
TP53 P04637 2/20 0.41
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 4/20 0.41
HTT P42858 3/20 0.41
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.38
CLCN2 P51788 1/20 0.38
ADRB2 P07550 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1901916 0.89 FOLH1 (0.46) FOLH1ALDH1A1LMNATP53HTT
SCHEMBL2453232 0.87 LIPG (0.51) ALDH1A1LMNATP53TSHRCYP3A4
SCHEMBL28468212 0.85 LIPG (0.54) ALDH1A1LMNATSHR
SCHEMBL11570752 0.85 LIPG (0.54) ALDH1A1LMNATSHR
SCHEMBL18519295 0.85 LIPG (0.54) ALDH1A1LMNATSHR
SCHEMBL9456049 0.85 LIPG (0.54) ALDH1A1LMNATSHR
SCHEMBL11569404 0.85 LIPG (0.54) ALDH1A1LMNATSHR
SCHEMBL9456266 0.85 LIPG (0.54) ALDH1A1LMNATSHR
SCHEMBL6575704 0.85 GABRA1 (0.44) FOLH1ALDH1A1TP53HCRTR1HCRTR2
SCHEMBL9626488 0.83 FOLH1 (0.47) FOLH1ALDH1A1LMNAKDRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE30370-E Flavoring foodstuffs with a thioester INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-08-12 US claimed
WO-2017192664-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2017-11-09 WO disclosed
EP-3240822-A1 TERMINAL-FUNCTIONALIZED POLYMER AND RELATED METHODS Bridgestone Corporation (JP) 2017-11-08 EP disclosed
WO-2016109345-A1 TERMINAL-FUNCTIONALIZED POLYMER AND RELATED METHODS BRIDGESTONE CORPORATION (JP) 2016-07-07 WO disclosed
EP-2496549-B1 NEW, NON-CRYSTALLISING METHACRYLATE, ITS MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2014-10-08 EP disclosed
EP-2496549-A2 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF Bayer MaterialScience AG (DE) 2012-09-12 EP disclosed
US-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 US disclosed
WO-2011054818-A2 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER MATERIALSCIENCE AG (DE) 2011-05-12 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-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF MEP1A, MMAB, RHOA FOLH1 3984/4885ALDH1A1 3355/4885LMNA 2413/4885

“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.