SCHEMBL20939157

SCHEMBL20939157

CSCCNC(=O)C1CCN(C(=O)CSC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ F2R P25116 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ YAP1 P46937 1/20 0.34
▸ TEAD4 Q15561 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL16591602 0.86 HSD17B10 (0.41) HSD17B10ALDH1A1SMN1; SMN2TSHRITGB3
SCHEMBL25959561 0.84 HSD17B10 (0.40) HSD17B10ALDH1A1SMN1; SMN2TSHRITGB3
SCHEMBL25959855 0.84 HSD17B10 (0.40) HSD17B10ALDH1A1SMN1; SMN2TSHRITGB3
SCHEMBL22332274 0.84 HSD17B10 (0.61) HSD17B10ALDH1A1SMN1; SMN2TSHRITGB3
SCHEMBL15337884 0.77 HSD17B10 (0.50) HSD17B10ALDH1A1YAP1TEAD4CYP2C19
SCHEMBL13627850 0.77 HSD17B10 (0.45) PTGESHSD17B10ALDH1A1SMN1; SMN2TSHR
SCHEMBL25962302 0.73 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2ACYP2C9CYP2C19
SCHEMBL19002780 0.72 NAAA (0.54) PTGESHSD17B10ALDH1A1SMN1; SMN2TSHR
SCHEMBL16591610 0.71 CYP2D6 (0.45) HSD17B10ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL18997256 0.71 SMN1; SMN2 (0.56) HSD17B10SMN1; SMN2KMT2AMEN1PKM

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-20190119295-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-25 — — 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-20190119295-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS PTGES 2561/4885HSD17B10 3787/4885ALDH1A1 2792/4885

“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