SCHEMBL25959561

SCHEMBL25959561

C[SH](C)CCNC(=O)C1CCN(C(=O)CSC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ F2R P25116 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ YAP1 P46937 1/20 0.34
▸ TEAD4 Q15561 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 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
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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 0.85 HSD17B10 (0.41) HSD17B10SMN1; SMN2ALDH1A1ITGB3ITGA2B
SCHEMBL20939157 0.84 PTGES (0.41) HSD17B10SMN1; SMN2ALDH1A1ITGB3ITGA2B
SCHEMBL22332274 0.82 HSD17B10 (0.61) HSD17B10SMN1; SMN2ALDH1A1ITGB3ITGA2B
SCHEMBL25959855 0.82 HSD17B10 (0.40) HSD17B10SMN1; SMN2ALDH1A1ITGB3ITGA2B
SCHEMBL25962302 0.72 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL15337884 0.70 HSD17B10 (0.50) HSD17B10ALDH1A1YAP1TEAD4CYP2C19
SCHEMBL16591610 0.70 CYP2D6 (0.45) HSD17B10SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22332307 0.69 ALDH1A1 (0.41) HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL20381510 0.68 ALDH1A1 (0.41) HSD17B10SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL16591617 0.68 ITGB3 (0.49) HSD17B10SMN1; SMN2ALDH1A1ITGB3ITGA2B

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-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 — — US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 — — 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 (2 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-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885SMN1; SMN2 3432/4885ALDH1A1 2792/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS HSD17B10 3787/4885SMN1; SMN2 3432/4885ALDH1A1 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.

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