SCHEMBL2454052

SCHEMBL2454052

COC(=O)c1csc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
HPGD P15428 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 2/20 0.51
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
PRKCZ Q05513 1/20 0.48
EGFR P00533 1/20 0.48
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CHRNA7 P36544 1/20 0.46
HTR3A P46098 1/20 0.46

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
SCHEMBL27677394 0.85 CYP46A1 (0.47) HPGDALDH1A1MAPTGAAHSD17B1
SCHEMBL29473506 0.84 CA1 (0.48) TSHRHPGDALDH1A1MAPTMEN1
SCHEMBL938199 0.83 HPGD (0.55) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL10367391 0.81 MAPT (0.52) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL938500 0.80 KMO (0.52) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL27605120 0.80 HSD17B1 (0.52) HPGDALDH1A1MEN1KMT2AGAA
SCHEMBL725065 0.80 RAB9A (0.53) HPGDALDH1A1MAPTHSD17B1HSD17B2
SCHEMBL27875207 0.78 TSHR (0.43) TSHRHPGDALDH1A1MAPTMEN1
SCHEMBL771049 0.78 HSD17B2 (0.56) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL2456748 0.78 CNR2 (0.55) TSHRALDH1A1LMNATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238026-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-01-19 US disclosed
US-9238026-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-01-19 US disclosed
US-9238026-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-01-19 US disclosed
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-05-08 US disclosed
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-05-08 US disclosed
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-05-08 US disclosed
EP-2694476-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-02-12 EP disclosed
WO-2012137181-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2012-10-11 WO disclosed
WO-2012137181-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2012-10-11 WO disclosed
EP-1577350-B1 Method for production of halogen-containing phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2011-09-14 EP disclosed
CN-100584840-C Substituted heterocyclic compounds and uses thereof ASTRAZENECA AB 2010-01-27 CN disclosed
US-7473777-B2 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2009-01-06 US disclosed
EP-1644320-B1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-7265246-B2 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-20070060587-A1 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-03-15 US disclosed
CN-1922172-A Substituted heterocyclic compounds and uses thereof ASTRAZENECA AB (SE) 2007-02-28 CN disclosed
EP-1644320-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-04-12 EP disclosed
EP-1577350-A1 Method for production of halogen-containing phthalocyanine compound Nippon Shokubai Co., Ltd. (JP) 2005-09-21 EP disclosed
US-20050203293-A1 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2005-09-15 US disclosed
WO-2005009941-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-02-03 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 (2 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-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES POLRMT, MAVS, EIF2AK2 TSHR 4852/4885HPGD 2452/4885ALDH1A1 4105/4885
US-20070060587-A1 Indane derivates as muscarinic receptor agonists CHRM1, CHRM3, CHRM2 TSHR 105/4885HPGD 1196/4885ALDH1A1 362/4885

“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.