SCHEMBL4350112

SCHEMBL4350112

Cc1c(Cl)cc(NC(=O)N(S)C(C)(C)C)c(O)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSPA5 P11021 1/20 0.31
TP53 P04637 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL4344516 0.80 HSPA5 (0.48) LMNAPOLBALOX15TSHRHSD17B10
SCHEMBL6416431 0.77 GPR35 (0.44) TRPV1GAAALOX15TSHRHSD17B10
SCHEMBL6524252 0.76 NPC1 (0.43) POLBGAATSHRCYP2C9SMN1; SMN2
SCHEMBL7027625 0.76 ALDH1A1 (0.41) LMNAPOLBALOX15HSD17B10HSPA5
SCHEMBL4344470 0.75 KMT2A (0.54) POLBTRPV1GAAALOX15TSHR
SCHEMBL4343702 0.75 DHODH (0.43) LMNAPOLBGAATSHRCYP2C9
SCHEMBL4351304 0.75 ABCC1 (0.39) TRPV1GAAALOX15HSD17B10MAPT
SCHEMBL4346738 0.74 LMNA (0.43) LMNAPOLBTRPV1SMN1; SMN2MAPT
SCHEMBL14563706 0.74 KMT2A (0.40) POLBTRPV1HSPA5CYP2C19KMT2A
SCHEMBL4358260 0.73 HTT (0.34) LMNAGAASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 LMNA 3160/4885POLB 3571/4885TRPV1 2328/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 LMNA 3661/4885POLB 2402/4885TRPV1 2320/4885

“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.