SCHEMBL896507

SCHEMBL896507

COc1c(Br)cc(I)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
NOTUM Q6P988 2/20 0.36
NQO2 P16083 1/20 0.34
AURKA O14965 2/20 0.33
KDR P35968 2/20 0.33
AURKB Q96GD4 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SOS1 Q07889 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TPMT P51580 1/20 0.32
CFTR P13569 1/20 0.31
TSHR P16473 1/20 0.31
APOBEC3A P31941 1/20 0.31
HTT P42858 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CA1 P00915 1/20 0.31
CA6 P23280 1/20 0.31

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
SCHEMBL482502 0.83 CA2 (0.45) CA2CA4NQO2LMNAHSD17B10
SCHEMBL1119270 0.81 CA2 (0.42) CA2CA4NOTUMMAPTLMNA
SCHEMBL13807389 0.81 HSD17B10 (0.46) CA2CA4NOTUMNQO2MAPT
SCHEMBL2398559 0.80 CA2 (0.58) CA2CA4NQO2MAPTHSD17B10
SCHEMBL7940113 0.79 NOTUM (0.41) CA2CA4NOTUMNQO2MAPT
SCHEMBL24252358 0.78 CA2 (0.39) CA2CA4NOTUMNQO2MAPT
SCHEMBL31063348 0.75 CA2 (0.48) CA2CA4NQO2MAPTHSD17B10
SCHEMBL22400411 0.75 NOTUM (0.35) NOTUMMAPTHTT
SCHEMBL30688789 0.75 NOTUM (0.35) NOTUMMAPTHTT
SCHEMBL1530384 0.74 CA2 (0.52) CA2CA4NQO2MAPTHSD17B10

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 26 patents — showing the first 20. 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
EP-2639226-B1 Anti-infective pyrimidines and uses thereof ABBVIE BAHAMAS LTD (BS) 2016-08-31 EP disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-9139536-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-09-22 US disclosed
US-9095590-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-08-04 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-20140294766-A1 Anti-Infective Agents and Uses Thereof ABBVIE INC (US) 2014-10-02 US disclosed
US-20140235638-A1 Anti-Infective Agents and Uses Thereof ABBVIE INC. (US) 2014-08-21 US disclosed
US-20120244119-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-09-27 US disclosed
US-20120213733-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-08-23 US disclosed
US-8188104-B2 Anti-infective agents and uses thereof ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
EP-2368882-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2011-09-28 EP disclosed
EP-2203431-B1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LAB (US) 2011-08-10 EP disclosed
US-20110070193-A1 Anti-Infective Agents and Uses Thereof ABBOTT LABORATORIES (US) 2011-03-24 US disclosed
EP-2203431-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF Abbott Laboratories (US) 2010-07-07 EP disclosed
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-23 US disclosed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 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 (9 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-20110070193-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE CA2 1429/4885CA4 1762/4885NOTUM 2597/4885
US-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CA2 3738/4885CA4 2966/4885NOTUM 2910/4885
US-20120213733-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE CA2 1429/4885CA4 1762/4885NOTUM 2597/4885
US-20120244119-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE CA2 1429/4885CA4 1762/4885NOTUM 2597/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CA2 3738/4885CA4 2966/4885NOTUM 2910/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CA2 3738/4885CA4 2966/4885NOTUM 2910/4885
US-20140294766-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE CA2 1429/4885CA4 1762/4885NOTUM 2597/4885
US-20140235638-A1 Anti-Infective Agents and Uses Thereof MPO, ELANE, LPO CA2 1551/4885CA4 1338/4885NOTUM 2549/4885
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE CA2 1429/4885CA4 1762/4885NOTUM 2597/4885

“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.