SCHEMBL23513652

SCHEMBL23513652

NNC(Cc1cccs1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.64
RAB9A P51151 1/20 0.51
CTSC P53634 5/20 0.50
LMNA P02545 2/20 0.49
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
POLB P06746 1/20 0.47
FOLH1 Q04609 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL14019361 0.83 CYP2C19 (0.64) CYP2C19RAB9ACTSCLMNASLC1A3
SCHEMBL8188457 0.83 CYP2C19 (0.64) CYP2C19RAB9ACTSCLMNASLC1A3
SCHEMBL7362447 0.81 CYP2C19 (0.60) CYP2C19RAB9ACTSCLMNAFOLH1
SCHEMBL13567542 0.81 CYP2C19 (0.60) CYP2C19RAB9ACTSCLMNASLC1A3
SCHEMBL6318417 0.81 CYP2C19 (0.60) CYP2C19RAB9ACTSCLMNASLC1A3
SCHEMBL23513631 0.81 CYP2C19 (0.60) CYP2C19RAB9ACTSCLMNAFOLH1
SCHEMBL7362451 0.81 CYP2C19 (0.60) CYP2C19RAB9ACTSCLMNAFOLH1
SCHEMBL16310142 0.81 CYP2C19 (0.60) CYP2C19RAB9ACTSCLMNASLC1A3
SCHEMBL28796343 0.81 CYP2C19 (0.60) CYP2C19RAB9ACTSCLMNASLC1A3
SCHEMBL7223221 0.80 CYP2C19 (0.58) CYP2C19RAB9ACTSCLMNASLC1A3

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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION Jubilant Prodel LLC 2021-06-17 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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION PDCD1, CD274, PDCD1LG2 CYP2C19 153/4885RAB9A 1435/4885CTSC 1211/4885

“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.