SCHEMBL10060134

SCHEMBL10060134

CCc1ccc(C[C@H]2CN(CC(=O)O)CCN(CC(=O)O)Cc3cccc(n3)CN2CC(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 2/20 0.37
REV1 Q9UBZ9 1/20 0.36
MAPT P10636 1/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DPP4 P27487 1/20 0.35
FOLH1 Q04609 1/20 0.34
SLC6A9 P48067 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL19389406 0.92 L3MBTL1 (0.38) CHIT1DRD2DRD4DPP4FOLH1
SCHEMBL18807569 0.92 L3MBTL1 (0.38) CHIT1DRD2DRD4DPP4FOLH1
SCHEMBL9906195 0.90 CHIT1 (0.37) CHIT1DPP4FOLH1
SCHEMBL18807567 0.90 FOLH1 (0.34) CHIT1DPP4FOLH1
SCHEMBL16644695 0.90 CHIT1 (0.37) CHIT1DPP4FOLH1
SCHEMBL24296867 0.89 DRD2 (0.38) CHIT1DRD2DRD4DPP4FOLH1
SCHEMBL19412790 0.89 DRD2 (0.38) CHIT1DRD2DRD4DPP4FOLH1
SCHEMBL22815168 0.89 FOLH1 (0.38) CHIT1REV1MAPTDPP4FOLH1
SCHEMBL16642308 0.88 CHIT1 (0.37) CHIT1DPP4FOLH1ALDH1A1
SCHEMBL23476607 0.87 FOLH1 (0.35) CHIT1DPP4FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210308207-A1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-10-07 US disclosed
US-9776977-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-03 US disclosed
US-9056841-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2015-06-16 US disclosed
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-16 US disclosed
US-20120009121-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2012-01-12 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 (3 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-20120009121-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 CHIT1 2138/4885REV1 4844/4885MAPT 973/4885
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 CHIT1 2138/4885REV1 4844/4885MAPT 973/4885
US-20210308207-A1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY VIP, PIN1, QPCT CHIT1 2248/4885REV1 2682/4885MAPT 666/4885

“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.