SCHEMBL1120183

SCHEMBL1120183

CC(C)(C)c1cc(C(F)(F)F)n[nH]1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.34
TSHR P16473 1/20 0.34
GFER P55789 1/20 0.34
ATM Q13315 1/20 0.34
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MAPK14 Q16539 1/20 0.31
STK25 O00506 2/20 0.30

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
SCHEMBL1205789 0.84 HPGD (0.46) HPGDTSHRGFERATMSMN1; SMN2
SCHEMBL30442982 0.84 ALOX15 (0.43) HPGDATMTP53ALOX15MAPK1
SCHEMBL20108 0.84 ALOX15 (0.43) HPGDATMTP53ALOX15MAPK1
SCHEMBL22327730 0.83 HPGD (0.44) HPGDTSHRTP53ALOX15MAPK1
Lithium SCHEMBL31258223 0.82 ALOX15 (0.42) HPGDATMTP53ALOX15MAPK1
SCHEMBL1529233 0.82 ALOX15 (0.42) HPGDATMTP53ALOX15MAPK1
SCHEMBL28965148 0.82 HPGD (0.44) HPGDTSHRGFERATMSMN1; SMN2
SCHEMBL28959340 0.82 HPGD (0.44) HPGDTSHRGFERATMSMN1; SMN2
SCHEMBL15271218 0.78 MCL1 (0.45) HPGDTP53ALOX15MAPK1HSD17B10
SCHEMBL1120133 0.75 MCL1 (0.42) HPGDTSHRTP53ALOX15MAPK1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-09-21 US disclosed
CN-116678907-A Application of pyrazole ring trinuclear silver (I) complex in determination of organic molecular structure 暨南大学 2023-09-01 CN disclosed
WO-2023078271-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海旭成医药科技有限公司 2023-05-11 WO disclosed
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2023-02-23 US disclosed
US-20210395225-A1 FUNCTIONALIZED AMINOTRIAZINES LEADXPRO AG (CH) 2021-12-23 US disclosed
EP-3495360-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2019-06-12 EP disclosed
US-20190048020-A1 DEUTERIUM-MODIFIED CFTR MODULATORS CONCERT PHARMACEUTICALS, INC. 2019-02-14 US disclosed
US-9926302-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-03-27 US disclosed
US-9879000-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-01-30 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 US disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 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-20210395225-A1 FUNCTIONALIZED AMINOTRIAZINES TBXA2R, ADORA2B, ADORA2A HPGD 1150/4885TSHR 105/4885GFER 474/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 HPGD 2236/4885TSHR 2351/4885GFER 4501/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF HPGD 506/4885TSHR 3955/4885GFER 2515/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 HPGD 1705/4885TSHR 2545/4885GFER 4570/4885
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ATR, CHEK1, CHEK2 HPGD 3476/4885TSHR 3236/4885GFER 4563/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 HPGD 1705/4885TSHR 2545/4885GFER 4570/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 HPGD 2236/4885TSHR 2351/4885GFER 4501/4885
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, MPST, CRAT HPGD 538/4885TSHR 4330/4885GFER 1537/4885
US-20190048020-A1 DEUTERIUM-MODIFIED CFTR MODULATORS CFTR, PKD2, PKD1 HPGD 251/4885TSHR 886/4885GFER 1436/4885

“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.