SCHEMBL31197604

SCHEMBL31197604

C=CCC[C@@]1(C(=O)OC)C[C@@H](F)CN1C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
F13A1 P00488 3/20 0.39
TGM2 P21980 3/20 0.39
TGM1 P22735 3/20 0.39
CYP3A4 P08684 1/20 0.38
HTR2C P28335 1/20 0.38
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
ELANE P08246 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL25555099 1.00 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AF13A1TGM2
SCHEMBL25555187 0.86 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ACYP3A4HTR2C
SCHEMBL25555184 0.86 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ACYP3A4HTR2C
SCHEMBL16760681 0.82
SCHEMBL21285563 0.75 HTR2C (0.38) HTR2C
SCHEMBL30089149 0.74 CYP3A4 (0.39) SMN1; SMN2NPC1RAB9ACYP3A4HTR2C
SCHEMBL2493522 0.74 HTR2C (0.45) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL1336851 0.74 HTR2C (0.45) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL24175974 0.73 TACR1 (0.40) SMN1; SMN2NPC1RAB9ACYP3A4HTT
SCHEMBL2670172 0.73 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AF13A1TGM2

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-20250136582-A1 SELECT KRAS G12C INHIBITORS AND USES THEREOF 1200 PHARMA LLC (US) 2025-05-01 US disclosed
CN-119156383-A Selective KRAS G12C inhibitors and uses thereof 1200药业有限责任公司 2024-12-17 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-20250136582-A1 SELECT KRAS G12C INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS SMN1; SMN2 1670/4885NPC1 1597/4885RAB9A 71/4885

“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.