SCHEMBL24322367

SCHEMBL24322367

N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
LTA4H P09960 2/20 0.50
KMT2A Q03164 2/20 0.50
EPHX1 P07099 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CNR1 P21554 1/20 0.49

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
SCHEMBL11710494 1.00 POLB (0.54) POLBCA12CA2CA9LTA4H
SCHEMBL6964063 0.91 CYP2D6 (0.63) KMT2ACYP2D6CYP2C9CYP2C19CNR1
SCHEMBL8210487 0.89 CA12 (0.53) POLBCA12CA2CA9KMT2A
SCHEMBL24095980 0.89 CA12 (0.53) POLBCA12CA2CA9KMT2A
SCHEMBL8210490 0.89 CA12 (0.53) POLBCA12CA2CA9KMT2A
SCHEMBL11714142 0.88 HDAC8 (0.55) CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL27498990 0.88 CA12 (0.52) POLBCA12CA2CA9KMT2A
Hydrochloric Acid SCHEMBL3367304 0.88 CA12 (0.52) POLBCA12CA2CA9KMT2A
SCHEMBL24322569 0.86 NLN (0.57) POLBCA12CA2CA9LTA4H
SCHEMBL11712987 0.86 NLN (0.57) POLBCA12CA2CA9LTA4H

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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN POLB 4461/4885CA12 4750/4885CA2 4475/4885

“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.