SCHEMBL7531017

SCHEMBL7531017

C[C@@](O)(C#CC(=O)O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
FDPS P14324 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 2/20 0.41
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
MMP8 P22894 6/20 0.40
RECQL P46063 1/20 0.40
TRPA1 O75762 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7527308 1.00 EGFR (0.46) EGFRSMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL17974969 0.81 TAAR1 (0.48) EGFRSMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL9806913 0.79 SLC6A2 (0.47) EGFRSMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL9810146 0.75 SLC6A2 (0.50) EGFRSMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL11043392 0.73 SLC6A2 (0.48) EGFRSMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL28101998 0.72 SLC6A2 (0.56) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL28101982 0.72 SLC6A2 (0.56) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL3361395 0.71 SMN1; SMN2 (0.55) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
Acetic Acid SCHEMBL1551090 0.71 HIF1A (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL4359977 0.71 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049350-A1 Process for preparing thrombin receptor antagonist building blocks FU XIAOYONG (US) 2002-04-25 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 (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-20020049350-A1 Process for preparing thrombin receptor antagonist building blocks F2R, TFPI, TBXA2R EGFR 119/4885SMN1; SMN2 4133/4885HIF1A 3431/4885

“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.