SCHEMBL482502

SCHEMBL482502

COc1c(Br)cc(I)cc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
CA4 P22748 2/20 0.45
ERBB2 P04626 2/20 0.39
EGFR P00533 1/20 0.39
PTGS2 P35354 3/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NQO2 P16083 1/20 0.35
CA1 P00915 2/20 0.34
HSD17B10 Q99714 1/20 0.33
PTGS1 P23219 1/20 0.33
TPMT P51580 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 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
SCHEMBL2065796 0.86 PTGS2 (0.46) CA2CA4PTGS2TSHRALDH1A1
Phosphine SCHEMBL28192251 0.84 PTGS2 (0.44) CA2CA4PTGS2TSHRALDH1A1
SCHEMBL896507 0.83 CA2 (0.44) CA2CA4PTGS2TSHRNQO2
SCHEMBL2398559 0.81 CA2 (0.58) CA2CA4TSHRTDP1NQO2
SCHEMBL1530388 0.80 THRB (0.39) PTGS2TSHRALDH1A1HSD17B10PTGS1
SCHEMBL351682 0.80 PTGS2 (0.39) CA2CA4PTGS2TSHRALDH1A1
SCHEMBL1530698 0.80 HSD17B10 (0.47) CA2CA4ERBB2EGFRPTGS2
SCHEMBL5090250 0.80 CA2 (0.55) CA2CA4ERBB2EGFRPTGS2
SCHEMBL1627319 0.78 CA2 (0.43) CA2CA4ERBB2EGFRPTGS2
SCHEMBL3770921 0.78 CA2 (0.42) CA2CA4ERBB2EGFRPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 US disclosed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 EP disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 US disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 US disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
EP-2411352-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-01 EP disclosed
WO-2010111436-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 WO 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-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CA2 3738/4885CA4 2966/4885ERBB2 4732/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CA2 3738/4885CA4 2966/4885ERBB2 4732/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CA2 3738/4885CA4 2966/4885ERBB2 4732/4885

“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.