SCHEMBL577235

SCHEMBL577235

Clc1ccc(-c2c[c]cs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
IKBKB O14920 2/20 0.35
LMNA P02545 2/20 0.35
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
IDO1 P14902 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AHR P35869 1/20 0.32
CNR1 P21554 2/20 0.32
ALAD P13716 1/20 0.32
GFER P55789 1/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL2753519 0.78 TSHR (0.35)
SCHEMBL2237075 0.78 ACHE (0.35) LMNACYP2A6ALDH1A1RAB9APOLB
SCHEMBL27702426 0.78 RAB9A (0.36) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL2750551 0.78 AHR (0.48) LMNAALDH1A1RAB9AMAPTMEN1
SCHEMBL2237052 0.77 ALDH1A1 (0.36) CYP2A6ALDH1A1RAB9APOLBMAPT
SCHEMBL2752066 0.72 HTR2B (0.37) ALDH1A1RAB9AMAPTIDO1
SCHEMBL2750693 0.69 HSD17B1 (0.33) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL2752805 0.69 METAP2 (0.33)
SCHEMBL6003082 0.68
SCHEMBL2774954 0.68 CNR1 (0.44) CYP1A2IKBKBLMNACYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 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 (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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP1A2 744/4885IKBKB 297/4885LMNA 1797/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP1A2 744/4885IKBKB 297/4885LMNA 1797/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP1A2 744/4885IKBKB 297/4885LMNA 1797/4885

“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.