SCHEMBL17811367

SCHEMBL17811367

COC(=O)c1ccc(C)c(CBr)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 5/20 0.47
GAA P10253 2/20 0.47
NOTUM Q6P988 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL6618854 0.87 ALDH1A1 (0.49) ALDH1A1CA1CA2CA12CA7
SCHEMBL9479617 0.86 CA1 (0.49) ALDH1A1CA1CA2CA12CA7
SCHEMBL10309779 0.86 ALDH1A1 (0.54) ALDH1A1CA1CA2CA12CA7
SCHEMBL1028046 0.86 CA1 (0.52) ALDH1A1CA1CA2CA12CA7
SCHEMBL29559628 0.86 CA1 (0.52) ALDH1A1CA1CA2CA12CA7
Hydrochloric Acid SCHEMBL17077487 0.85 LOXL2 (0.54) ALDH1A1CA1CA2CA12CA7
SCHEMBL18502198 0.85 CA12 (0.56) ALDH1A1CA1CA2CA12CA7
SCHEMBL16938242 0.84 CA1 (0.50) ALDH1A1CA1CA2CA12CA7
SCHEMBL12788053 0.84 ALDH1A1 (0.56) ALDH1A1CA1CA2CA12CA7
SCHEMBL16937869 0.84 CA12 (0.44) ALDH1A1CA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11173157-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators Apros Therapeutics, Inc. (US) 2021-11-16 US disclosed
US-20210000826-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS AS TLR7 MODULATORS Apros Therapeutics, Inc. 2021-01-07 US disclosed
US-10160748-B2 Indazolones as modulators of tnf signaling ABBVIE INC. (US) 2018-12-25 US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
EP-3294726-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-21 EP disclosed
WO-2016168633-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-06-09 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 (6 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-20210000826-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS AS TLR7 MODULATORS TLR7, TLR9, STING1 ALDH1A1 2073/4885CA1 4713/4885CA2 4303/4885
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A ALDH1A1 1402/4885CA1 4841/4885CA2 4798/4885
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A ALDH1A1 1402/4885CA1 4841/4885CA2 4798/4885
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX ALDH1A1 2353/4885CA1 3634/4885CA2 4188/4885
US-10160748-B2 Indazolones as modulators of tnf signaling TNF, CD40, TNFRSF1A ALDH1A1 1402/4885CA1 4841/4885CA2 4798/4885
US-11173157-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators TLR7, TLR9, MAVS ALDH1A1 787/4885CA1 4650/4885CA2 4241/4885

“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.