SCHEMBL20989035

SCHEMBL20989035

COc1ccc(CCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 1/20 0.59
▸ ALDH1A1 P00352 8/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ TSHR P16473 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ LMNA P02545 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HTT P42858 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ ME2 P23368 1/20 0.49
▸ ME1 P48163 1/20 0.49
▸ ME3 Q16798 1/20 0.49
▸ C3AR1 Q16581 1/20 0.48
▸ EPHX2 P34913 1/20 0.47

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
SCHEMBL20989033 0.87 SIGMAR1 (0.50) ALDH1A1KMT2ATSHRKDM4ESMN1; SMN2
SCHEMBL20988916 0.83 KMT2A (0.48) ALDH1A1KMT2ATSHRKDM4ELMNA
SCHEMBL20988923 0.80 C3AR1 (0.46) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL27904819 0.79 MLNR (0.66) FKBP1AALDH1A1KMT2ATSHRKDM4E
SCHEMBL10305162 0.78 FKBP1A (0.76) FKBP1AALDH1A1KMT2ATSHRKDM4E
SCHEMBL20988917 0.78 TRPV1 (0.54) ALDH1A1KMT2ATSHRKDM4EMEN1
SCHEMBL20989079 0.77 C3AR1 (0.65) C3AR1
SCHEMBL2833225 0.77 KMT2A (0.80) FKBP1AALDH1A1KMT2ATSHRKDM4E
SCHEMBL20989095 0.77 FKBP1A (0.59) FKBP1AALDH1A1KMT2ATSHRMEN1
SCHEMBL20988925 0.77 C3AR1 (0.59) ALDH1A1POLBC3AR1EPHX2

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 3693/4885ALDH1A1 4716/4885KMT2A 2604/4885

“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.

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