SCHEMBL3452022

SCHEMBL3452022

CC(C)c1ccc(-c2csc(N(CCCS(=O)(=O)O)Cc3cccs3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
TSHR P16473 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 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
SCHEMBL13109739 0.85 PPARD (0.43) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3452179 0.83 GCGR (0.44) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3452056 0.83 MEN1 (0.40) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3452451 0.83 ALDH1A1 (0.42) MEN1KMT2ANPC1RAB9APOLB
Hydrochloric Acid SCHEMBL3453214 0.82 ALDH1A1 (0.41) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL1833263 0.82 MEN1 (0.42) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3453877 0.82 MEN1 (0.43) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL13109743 0.81 KDM4E (0.43) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL13109620 0.81 ALDH1A1 (0.41) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3452609 0.81 MEN1 (0.42) MEN1KMT2ANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R MEN1 1990/4885KMT2A 2090/4885NPC1 952/4885

“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.