SCHEMBL25840780

SCHEMBL25840780

Cc1ccc(NC(=O)NCCCS(=O)(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.56
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
SLC6A3 Q01959 1/20 0.55
CA4 P22748 1/20 0.55
CA7 P43166 1/20 0.55
NPC1 O15118 2/20 0.54
CNR1 P21554 1/20 0.52
CASR P41180 1/20 0.52
EPHX1 P07099 4/20 0.50
HTT P42858 1/20 0.50
PTPN7 P35236 1/20 0.49
GHSR Q92847 1/20 0.48

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
SCHEMBL25840778 0.91 CA12 (0.61) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25840781 0.85 RECQL (0.56) ALDH1A1SMN1; SMN2CA1CA2CA12
SCHEMBL10278172 0.84 EPHX1 (0.65) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5667497 0.83 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25517517 0.81 EPHX1 (0.74) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21504843 0.81 EPHX1 (0.74) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9418797 0.81 EPHX1 (0.74) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23328398 0.81 MEN1 (0.63) SMN1; SMN2CA1CA2CA12CA9
SCHEMBL25840768 0.81 NPC1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8790471 0.81 ALDH1A1 (0.66) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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-11701333-B2 Antibacterial compounds Kent Innovation & Enterprise (GB) 2023-07-18 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-11701333-B2 Antibacterial compounds ARF1, ARL1, TLR1 ALDH1A1 465/4885CYP1A2 586/4885CYP3A4 3096/4885

“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.