SCHEMBL18716200

SCHEMBL18716200

CCc1ccc(C(=O)ON2C(=O)CCC2=O)cc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RXRA P19793 3/20 0.34
▸ RXRB P28702 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ TSHR P16473 1/20 0.32
▸ BCL2 P10415 1/20 0.32

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
SCHEMBL13844973 0.88 CA12 (0.35) ALDH1A1CA12CA1CA9KMT2A
SCHEMBL12756281 0.81 MAPK1 (0.35) ALDH1A1CA12CA1CA9MEN1
SCHEMBL13447354 0.80 CDK5 (0.33) MGLL
SCHEMBL17071632 0.78 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHPGDRXRA
SCHEMBL28208374 0.76 KDM4E (0.49) ALDH1A1CA12CA1CA9MEN1
SCHEMBL16316860 0.76 LOXL2 (0.44) KMT2AMAPK1MGLLBCL2
SCHEMBL27717830 0.76 CA1 (0.55) ALDH1A1CA12CA1CA9KMT2A
SCHEMBL13700039 0.76 KDM4E (0.42) ALDH1A1KMT2AGAAMAPTKDM4E
SCHEMBL300884 0.75 CA12 (0.42) ALDH1A1CA12CA1CA9MEN1
SCHEMBL1355542 0.74 ALDH1A1 (0.52) ALDH1A1CA12CA1CA9MEN1

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-20170095580-A1 TCO CONJUGATES AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-06 — — 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-20170095580-A1 TCO CONJUGATES AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS FCGR2A, PAICS, CD47 ALDH1A1 2533/4885CA12 32/4885CA1 473/4885

“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.

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