SCHEMBL29789574

SCHEMBL29789574

COC(=O)[C@@H](NC(=O)C1CCNCC1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
PADI1 Q9ULC6 1/20 0.45
PADI4 Q9UM07 1/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL13033929 1.00 TSHR (0.47) TSHRPADI1PADI4POLBALDH1A1
SCHEMBL29789518 0.91 TSHR (0.44) TSHRPADI1PADI4POLBSMN1; SMN2
SCHEMBL8296041 0.83 PADI1 (0.47) TSHRPADI1PADI4POLBALDH1A1
SCHEMBL6503433 0.83 PADI1 (0.47) TSHRPADI1PADI4POLBALDH1A1
SCHEMBL29789522 0.83 TP53 (0.54) TSHRPOLBALDH1A1SMN1; SMN2TP53
SCHEMBL13525013 0.81 TSHR (0.49) TSHRPOLBALDH1A1SMN1; SMN2CA12
SCHEMBL10378262 0.79 TSHR (0.52) TSHRPADI1PADI4POLBALDH1A1
SCHEMBL27282300 0.79 TSHR (0.52) TSHRPADI1PADI4POLBALDH1A1
Hydrochloric Acid SCHEMBL27285687 0.78 TSHR (0.51) TSHRPADI1PADI4POLBALDH1A1
Hydrochloric Acid SCHEMBL27285688 0.78 TSHR (0.51) TSHRPADI1PADI4POLBALDH1A1

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-20250195521-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. 2025-06-19 US disclosed
CN-114901366-A RAS inhibitors 锐新医药公司 2022-08-12 CN 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-20250195521-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS SOS1, PPM1D, PTPN1 TSHR 2038/4885PADI1 3306/4885PADI4 4025/4885

“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.