SCHEMBL17436804

SCHEMBL17436804

CCC(C)(C)c1ccc(NC(=O)S)c(C(C)(C)CC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
ATM Q13315 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
VDR P11473 2/20 0.38
CYP2C9 P11712 3/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
UBE2N P61088 2/20 0.34

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
SCHEMBL17436805 0.80 MAPK1 (0.41) MAPK1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL9340135 0.75 HCAR2 (0.53) MAPK1SMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL7572645 0.75 MAPK1 (0.42) MAPK1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL9853733 0.75 MAPK1 (0.43) MAPK1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL11477144 0.71 MAPK1 (0.61) MAPK1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL778350 0.70 MAPK1 (0.47) MAPK1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL29630093 0.70 MAPK1 (0.47) MAPK1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL2677332 0.70 MAPK1 (0.49) MAPK1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL27563485 0.70 HDAC1 (0.50) MAPK1SMN1; SMN2ALDH1A1CYP2C9MAPT
SCHEMBL8189951 0.70 MAPK1 (0.44) MAPK1SMN1; SMN2MEN1KMT2ANPSR1

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-10308601-B2 Isothiocyanate production method, composition for transporting and storing N-substituted O-substituted thiocarbamate, and isothiocyanate composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2019-06-04 US disclosed
US-20160016901-A1 ISOTHIOCYANATE PRODUCTION METHOD, COMPOSITION FOR TRANSPORTING AND STORING N-SUBSTITUTED O-SUBSTITUTED THIOCARBAMATE, AND ISOTHIOCYANATE COMPOSITION ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-21 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-20160016901-A1 ISOTHIOCYANATE PRODUCTION METHOD, COMPOSITION FOR TRANSPORTING AND STORING N-SUBSTITUTED O-SUBSTITUTED THIOCARBAMATE, AND ISOTHIOCYANATE COMPOSITION TST, SLCO4C1, SLCO2B1 MAPK1 4335/4885SMN1; SMN2 4351/4885MEN1 3988/4885
US-10308601-B2 Isothiocyanate production method, composition for transporting and storing N-substituted O-substituted thiocarbamate, and isothiocyanate composition TST, SLCO4C1, SLCO2B1 MAPK1 4335/4885SMN1; SMN2 4351/4885MEN1 3988/4885

“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.