SCHEMBL21099781

SCHEMBL21099781

CCC(C)(C)C(=O)[C@H]1CC[C@H](C(=O)C(C)(C)CC)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
HSD11B1 P28845 1/20 0.34
CCR2 P41597 1/20 0.34
FKBP1A P62942 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21186856 1.00 RIPK1 (0.36) RIPK1THRATHRBHSD11B1CCR2
SCHEMBL19223961 1.00 RIPK1 (0.36) RIPK1THRATHRBHSD11B1CCR2
SCHEMBL21703733 0.93 RIPK1 (0.33) RIPK1THRATHRBHSD11B1CCR2
SCHEMBL19367986 0.91 SMN1; SMN2 (0.44) RIPK1HSD11B1CCR2FKBP1ASMN1; SMN2
SCHEMBL13899557 0.89 SMN1; SMN2 (0.42) HSD11B1CCR2FKBP1ASMN1; SMN2HSD17B10
SCHEMBL19772908 0.88 THRA (0.53) RIPK1THRATHRBPOLB
SCHEMBL19215805 0.86 SMN1; SMN2 (0.44) FKBP1ASMN1; SMN2POLBALDH1A1
SCHEMBL13353976 0.84 SMN1; SMN2 (0.44) CCR2SMN1; SMN2HSD17B10POLBHTT
SCHEMBL6141316 0.82 THRA (0.36) THRATHRBHSD11B1CCR2SMN1; SMN2
SCHEMBL12473297 0.82 LMNA (0.35) RIPK1FKBP1ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689430-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2020-06-23 US disclosed
US-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-06-13 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-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 RIPK1 617/4885THRA 37/4885THRB 23/4885
US-10689430-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 RIPK1 617/4885THRA 37/4885THRB 23/4885

“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.