SCHEMBL4457282

SCHEMBL4457282

CCN(C(=S)S)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PHGDH O43175 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP2E1 P05181 1/20 0.39
PTGS1 P23219 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL11494864 0.98 GAA (0.43) GAACYP1A2CYP3A4CYP2C19LMNA
SCHEMBL3689195 0.87 CYP1A2 (0.40) GAACYP1A2CYP3A4CYP2C19LMNA
SCHEMBL637760 0.85 CYP1A2 (0.39) GAACYP1A2CYP3A4CYP2C19LMNA
SCHEMBL1123366 0.81 L3MBTL1 (0.46) GAACYP1A2CYP3A4CYP2C19LMNA
SCHEMBL503797 0.80 ADH1A (0.36) GAACYP1A2CYP3A4CYP2C19LMNA
SCHEMBL637761 0.80 CYP1A2 (0.36) GAACYP1A2CYP3A4CYP2C19LMNA
SCHEMBL11756163 0.79 GAA (0.44) GAACYP1A2CYP3A4CYP2C19LMNA
SCHEMBL8903243 0.79 GAA (0.44) GAACYP1A2CYP3A4CYP2C19LMNA
SCHEMBL1123364 0.79 L3MBTL1 (0.49) GAALMNANPC1RAB9AL3MBTL1
SCHEMBL635542 0.78 GAA (0.43) GAACYP1A2CYP3A4CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152917-A1 LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION SHELL OIL COMPANY 2016-06-02 US disclosed
US-20160145528-A1 LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION SHELL OIL COMPANY 2016-05-26 US disclosed
US-20160145528-A1 LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION SHELL OIL COMPANY 2016-05-26 US disclosed
WO-2014207176-A1 LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2014-12-31 WO disclosed
WO-2014207180-A1 LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2014-12-31 WO disclosed
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
CN-1085218-C Olefin polymerization catalyst ASAHI CHEMICAL IND (JP) 2002-05-22 CN 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-20160145528-A1 LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION C5, MCM2, C9 GAA 4615/4885CYP1A2 1992/4885CYP3A4 2941/4885
US-20160152917-A1 LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION C9, C5, F12 GAA 4651/4885CYP1A2 2108/4885CYP3A4 2923/4885

“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.