SCHEMBL25959564

SCHEMBL25959564

C[SH](C)NC(=O)C1CCN(C(=O)COC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PTPN1 P18031 2/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN6 P29350 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ STS P08842 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ LMNA P02545 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
SCHEMBL20381502 0.83 KMT2A (0.48) TSHRALDH1A1KMT2AMEN1PTPN1
SCHEMBL22332232 0.81 KMT2A (0.55) TSHRALDH1A1KMT2AMEN1PTPN1
SCHEMBL25039064 0.80 ALDH1A1 (0.57) TSHRALDH1A1KMT2AMEN1HPGD
SCHEMBL20381522 0.80 HSD17B10 (0.44) TSHRALDH1A1KMT2AMEN1HPGD
SCHEMBL20939164 0.78 POLB (0.39) TSHRALDH1A1KMT2AMEN1PTPN1
SCHEMBL16591615 0.78 HSD17B10 (0.41) TSHRALDH1A1KMT2AMEN1PTPN1
SCHEMBL25959802 0.78 ALDH1A1 (0.36) TSHRALDH1A1KMT2AMEN1HPGD
SCHEMBL26138804 0.78 ALDH1A1 (0.40) TSHRALDH1A1KMT2AMEN1HPGD
SCHEMBL20939096 0.76 HSD17B10 (0.61) TSHRALDH1A1KMT2AMEN1PTPN1
SCHEMBL20381555 0.76 ALDH1A1 (0.55) TSHRALDH1A1KMT2AMEN1HPGD

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 TSHR 4752/4885ALDH1A1 2792/4885KMT2A 1832/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS TSHR 4752/4885ALDH1A1 2792/4885KMT2A 1832/4885

“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