SCHEMBL17711982

SCHEMBL17711982

Cc1cc(C(=O)C(F)(F)F)ccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.50
CHRNG P07510 1/20 0.50
CHRNB1 P11230 1/20 0.50
CHRNB2 P17787 1/20 0.50
SLC6A2 P23975 1/20 0.50
CHRNB4 P30926 1/20 0.50
SLC6A4 P31645 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CHRND Q07001 1/20 0.50
ACHE P22303 2/20 0.46
CES1 P23141 1/20 0.44
NOTUM Q6P988 1/20 0.42
MLYCD O95822 7/20 0.42
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL20918979 0.85 HPGD (0.51) ACHECES1NOTUMRAB9AKMT2A
SCHEMBL10494608 0.82 ACHE (0.50) ACHECES1MLYCDNPC1MAPT
SCHEMBL19306517 0.81 ACHE (0.46) ACHECES1MLYCDNPC1MAPT
SCHEMBL17711346 0.80 MLYCD (0.49) ACHECES1MLYCD
SCHEMBL19200565 0.79 ACHE (0.47) ACHECES1MLYCD
SCHEMBL17711396 0.79 MAPT (0.54) ACHECES1NOTUMRAB9AKMT2A
SCHEMBL26323147 0.79 CES1 (0.45) ACHECES1MLYCDRAB9ANPC1
SCHEMBL27581493 0.78 HTT (0.53) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL21358311 0.78 MAPT (0.49) ACHECES1MLYCDKMT2AMEN1
SCHEMBL2797872 0.78 TAS1R3 (0.46) ACHECES1MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212642-B1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORGAMMAT JANSSEN PHARMACEUTICA NV (BE) 2019-10-30 EP disclosed
US-9850236-B2 Trifluoromethyl alcohols as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-12-26 US disclosed
US-9845319-B2 Amide substituted thiazoles as modulators of RORyt Janssen Pharmaceutiuca NV (BE) 2017-12-19 US disclosed
US-9845319-B2 Amide substituted thiazoles as modulators of RORyt Janssen Pharmaceutiuca NV (BE) 2017-12-19 US disclosed
US-9845319-B2 Amide substituted thiazoles as modulators of RORyt Janssen Pharmaceutiuca NV (BE) 2017-12-19 US disclosed
US-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 US disclosed
EP-3212642-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyT Janssen Pharmaceutica NV (BE) 2017-09-06 EP disclosed
WO-2016069978-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORγT JANSSEN PHARMACEUTICA NV (BE) 2016-05-06 WO disclosed
US-20160122336-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20150152042-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2015-06-04 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 (4 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-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt RORC, RORA, RORB CHRNA1 680/4885CHRNG 1350/4885CHRNB1 2007/4885
US-20160122336-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt RORC, RORA, RORB CHRNA1 243/4885CHRNG 729/4885CHRNB1 762/4885
US-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt RORA, RORC, RORB CHRNA1 64/4885CHRNG 164/4885CHRNB1 157/4885
US-20150152042-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 CHRNA1 259/4885CHRNG 457/4885CHRNB1 143/4885

“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.