SCHEMBL20989095

SCHEMBL20989095

CCc1ccc(OCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 2/20 0.59
▸ ATF4 P18848 1/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ TP53 P04637 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ POLB P06746 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ GAA P10253 2/20 0.46
▸ EPHX2 P34913 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
SCHEMBL20989099 0.87 ATF4 (0.69) ATF4SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL16003081 0.85 FKBP1A (0.64) FKBP1AATF4SMN1; SMN2MEN1KMT2A
SCHEMBL13825979 0.83 FKBP1A (0.62) FKBP1AATF4SMN1; SMN2MEN1KMT2A
SCHEMBL20989269 0.83 RAB9A (0.62) FKBP1AATF4SMN1; SMN2MEN1KMT2A
SCHEMBL20989159 0.81 POLB (0.56) ATF4SMN1; SMN2MEN1KMT2ATP53
SCHEMBL20989271 0.79 FKBP1A (0.56) FKBP1AATF4SMN1; SMN2MEN1KMT2A
SCHEMBL13849630 0.78 FKBP1A (0.76) FKBP1ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL25537982 0.78 FKBP1A (0.64) FKBP1ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL11932388 0.78 GAA (0.73) FKBP1ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL14437957 0.77 FKBP1A (0.74) FKBP1ASMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOG (US) 2019-05-09 — — 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-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS KRAS, NRAS, HRAS FKBP1A 3693/4885ATF4 501/4885SMN1; SMN2 4615/4885

“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