SCHEMBL3961476

SCHEMBL3961476

CN[C@H](Cc1cc(Br)c(OC)c(Br)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 2/20 0.41
THRB P10828 4/20 0.40
THRA P10827 3/20 0.40
PPARG P37231 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
TPMT P51580 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FPR2 P25090 1/20 0.37

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
SCHEMBL29633874 0.82 PPARD (0.42) PPARGALOX15FPR2
SCHEMBL1819058 0.81 LDHA (0.52) MAPTLMNAMEN1KMT2AFPR2
Hydrochloric Acid SCHEMBL3956590 0.80 CALCRL (0.38) THRBTHRAPPARGFPR2
SCHEMBL28430725 0.80 ACE (0.55) PPARG
SCHEMBL28429310 0.80 ACE (0.55) PPARG
SCHEMBL8745463 0.80 THRA (0.51) THRBTHRAPPARG
SCHEMBL15105437 0.77 ALDH1A1 (0.49) HPGDMAPTSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL3963272 0.77 THRB (0.59) MAPTHSD17B10THRBTHRAPPARG
SCHEMBL1226377 0.76 ALB (0.50) HSD17B10ALOX15
SCHEMBL1226378 0.76 ALB (0.50) HSD17B10ALOX15

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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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 (4 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS HPGD 3959/4885MAPT 201/4885HSD17B10 4618/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 HPGD 3669/4885MAPT 164/4885HSD17B10 4236/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS HPGD 3365/4885MAPT 197/4885HSD17B10 3992/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 HPGD 3669/4885MAPT 164/4885HSD17B10 4236/4885

“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.