SCHEMBL2987838

SCHEMBL2987838

O=C1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 6/20 0.54
HPGD P15428 5/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
RBP4 P02753 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
Ethylene SCHEMBL8381019 0.96 MTHFD2 (0.51) MTHFD2HPGDALDH1A1MAPK1CA12
SCHEMBL24120195 0.92 HPGD (0.61) HPGDALDH1A1MAPK1TSHRMEN1
SCHEMBL263534 0.86 HPGD (0.66) HPGDALDH1A1MAPK1CA12CA1
SCHEMBL9133746 0.86 ALDH1A1 (0.64) HPGDALDH1A1MAPK1CA12CA1
SCHEMBL27811868 0.85 HPGD (0.53) HPGDALDH1A1MAPK1CA1CA9
SCHEMBL6474754 0.84 HPGD (0.68) HPGDALDH1A1MAPK1TSHRLMNA
SCHEMBL13952060 0.84 HPGD (0.72) HPGDALDH1A1MAPK1TSHRMEN1
SCHEMBL1799068 0.83 ALDH1A1 (0.64) HPGDALDH1A1CA12CA1CA9
SCHEMBL26987208 0.83 HPGD (0.70) HPGDALDH1A1CA12CA1CA9
SCHEMBL7446390 0.83 PKM (0.65) HPGDALDH1A1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
EP-3083594-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
WO-2015091415-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
WO-2015091415-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
US-7777041-B2 2-acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-08-17 US disclosed
US-20090156574-A1 2-ACYLAMINO-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-06-18 US disclosed
US-7504511-B2 2-acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-03-17 US disclosed
US-20060135575-A1 2-Acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-06-22 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 (3 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-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES TNNI3, TNNC1, FABP3 MTHFD2 4215/4885HPGD 2183/4885ALDH1A1 3111/4885
US-20060135575-A1 2-Acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof PAH, ABAT, AADAT MTHFD2 1514/4885HPGD 754/4885ALDH1A1 54/4885
US-20090156574-A1 2-ACYLAMINO-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF PAH, ABAT, AADAT MTHFD2 1514/4885HPGD 754/4885ALDH1A1 54/4885

“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.