SCHEMBL25962302

SCHEMBL25962302

CC1CCN(C(=O)CSC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.60
▸ NPC1 O15118 5/20 0.55
▸ HPGD P15428 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ PHGDH O43175 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ RXFP1 Q9HBX9 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ATM Q13315 1/20 0.41

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
SCHEMBL16591610 0.84 CYP2D6 (0.45) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL22332307 0.83 ALDH1A1 (0.41) ALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL20381510 0.81 ALDH1A1 (0.41) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL12892362 0.81 ALDH1A1 (0.45) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL15337883 0.79 ALDH1A1 (0.66) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8354763 0.76 FKBP1A (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL10146693 0.76 ALDH1A1 (0.60) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL11838061 0.74 ALDH1A1 (0.58) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL16591602 0.74 HSD17B10 (0.41) ALDH1A1SMN1; SMN2KMT2ACYP2C9CYP2C19
SCHEMBL13096329 0.73 ALDH1A1 (0.56) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 — — US disclosed
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 (3 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 ALDH1A1 2792/4885NPC1 2113/4885HPGD 1795/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS ALDH1A1 2792/4885NPC1 2113/4885HPGD 1795/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ALDH1A1 2792/4885NPC1 2113/4885HPGD 1795/4885

“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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