SCHEMBL12763742

SCHEMBL12763742

CC(C)c1ncc(C(=O)O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 3/20 0.43
▸ NAPRT Q6XQN6 1/20 0.43
▸ TTR P02766 1/20 0.42
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HCAR3 P49019 3/20 0.40
▸ SLC22A12 Q96S37 3/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MGAM O43451 1/20 0.39
▸ NR1H4 Q96RI1 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TPMT P51580 1/20 0.38

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
SCHEMBL17148520 0.86 KMT2A (0.39) THRATHRBKMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL3650688 0.85 HCAR2 (0.40) HCAR2NAPRTTTRTHRATHRB
SCHEMBL17148533 0.84 HTT (0.41) KMT2ALMNAMAPTHTTSMN1; SMN2
SCHEMBL25047559 0.82 HCAR2 (0.43) HCAR2NAPRTTTRTSHRSLC22A12
SCHEMBL19706324 0.80 HCAR2 (0.44) HCAR2HCAR3KMT2AKDM4EALDH1A1
SCHEMBL16248203 0.80 KDM4E (0.42) HCAR2THRATHRBHCAR3KMT2A
SCHEMBL19698928 0.79 HCAR2 (0.43) HCAR2HCAR3KMT2AKDM4EALDH1A1
SCHEMBL15044970 0.78 KMT2A (0.32) KMT2ALMNAMAPTHTTSMN1; SMN2
SCHEMBL1105964 0.76 HCAR2 (0.47) HCAR2NAPRTTTRTSHRHCAR3
SCHEMBL232290 0.75 HCAR2 (0.50) HCAR2NAPRTTTRTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — 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-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E HCAR2 4570/4885NAPRT 194/4885TTR 1946/4885

“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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