SCHEMBL20249123

SCHEMBL20249123

CC(C)(C)c1ccc(CN(C[C@H]2CCCO2)S(C)(=O)=O)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.45
▸ POLB P06746 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ PER2 O15055 2/20 0.43
▸ CRY1 Q16526 2/20 0.43
▸ CRY2 Q49AN0 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MCOLN3 Q8TDD5 1/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39

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
SCHEMBL20249120 1.00 ALDH1A1 (0.45) ALDH1A1POLBGAASMN1; SMN2PER2
SCHEMBL18291553 0.85 SMN1; SMN2 (0.47) ALDH1A1POLBGAASMN1; SMN2PER2
SCHEMBL20037789 0.84 SMN1; SMN2 (0.46) ALDH1A1POLBGAASMN1; SMN2PER2
SCHEMBL20037844 0.84 SMN1; SMN2 (0.46) ALDH1A1POLBGAASMN1; SMN2PER2
SCHEMBL18291407 0.84 SMN1; SMN2 (0.46) ALDH1A1POLBGAASMN1; SMN2PER2
SCHEMBL18291402 0.84 SMN1; SMN2 (0.46) ALDH1A1POLBGAASMN1; SMN2PER2
SCHEMBL20249118 0.82 CNR2 (0.40) —
SCHEMBL20249138 0.80 OXTR (0.46) POLBGAAMEN1KMT2A
SCHEMBL20249136 0.80 OXTR (0.46) POLBGAAMEN1KMT2A
SCHEMBL10016684 0.72 ALDH1A1 (0.54) ALDH1A1POLBGAASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 — — US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 — — 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 (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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 ALDH1A1 944/4885POLB 1145/4885GAA 2747/4885

“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.

Send feedback