SCHEMBL4529320

SCHEMBL4529320

NC(=S)Nc1ccc(CC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 2/20 0.53
TP53 P04637 2/20 0.53
TSHR P16473 2/20 0.53
TYR P14679 1/20 0.53
TAS2R38 P59533 1/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 2/20 0.53
NR1H4 Q96RI1 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.51
FFAR1 O14842 1/20 0.50
RORC P51449 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL16573353 0.85 MEN1 (0.57) MEN1KMT2AALDH1A1HSD17B10TP53
SCHEMBL13849278 0.85 MEN1 (0.61) MEN1KMT2AALDH1A1HSD17B10TP53
SCHEMBL7328828 0.82 POLB (0.53) ALDH1A1HSD17B10TP53TSHRTYR
SCHEMBL4099538 0.81 KMT2A (0.57) MEN1KMT2AALDH1A1HSD17B10TP53
SCHEMBL25230746 0.81 ALDH1A1 (0.62) MEN1KMT2AALDH1A1TP53SMN1; SMN2
SCHEMBL10457090 0.80 MEN1 (0.65) MEN1KMT2AALDH1A1HSD17B10TP53
Hydrochloric Acid SCHEMBL7319435 0.80 KMT2A (0.56) MEN1KMT2AALDH1A1HSD17B10TP53
SCHEMBL4515437 0.80 HPSE (0.57) KMT2AALDH1A1HSD17B10TP53TSHR
SCHEMBL5389735 0.79 NPC1 (0.51) MEN1KMT2AALDH1A1HSD17B10TP53
SCHEMBL2746375 0.79 KMT2A (0.54) MEN1KMT2AALDH1A1HSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
CN-103097367-B Phenylpropionic acid compound, preparation method therefor and medicinal use thereof INST PHARM & TOXICOLOGY AMMS 2014-12-03 CN disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP disclosed
EP-1467981-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 Kylix Pharmaceuticals B.V. (NL) 2004-10-20 EP disclosed
WO-2003062215-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 KYLIX PHARMACEUTICALS B.V. (NL) 2003-07-31 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 (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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB MEN1 1164/4885KMT2A 4760/4885ALDH1A1 234/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC MEN1 1761/4885KMT2A 4737/4885ALDH1A1 174/4885

“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.