SCHEMBL277174

SCHEMBL277174

CC(=O)c1csc(-c2ccc(C(C)(C)C)cc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
IKBKB O14920 2/20 0.39
KIF11 P52732 2/20 0.37
LMNA P02545 1/20 0.37
TYR P14679 1/20 0.37
CYP1A2 P05177 1/20 0.37
RORB Q92753 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HDAC1 Q13547 1/20 0.35
GRIN2C Q14957 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL5738660 0.86 AKR1C2 (0.33) AKR1C2AKR1C1IKBKBRORBNPC1
SCHEMBL278003 0.86 KIF11 (0.41) KIF11LMNACYP1A2MAPT
SCHEMBL15257492 0.84 LMNA (0.37) AKR1C2AKR1C1IKBKBKIF11LMNA
SCHEMBL1482998 0.84 AKR1C2 (0.39) AKR1C2AKR1C1KIF11LMNATYR
SCHEMBL8404738 0.82 RAB9A (0.48) AKR1C2AKR1C1IKBKBNPC1RAB9A
SCHEMBL1784106 0.81 PTGS1 (0.48) LMNANPC1RAB9AMAPTHPGD
SCHEMBL277465 0.81 ABL1 (0.40) NPC1RAB9AMAPTHPGDCASP3
SCHEMBL277402 0.81 ALAD (0.39) LMNACYP1A2NPC1RAB9AMAPT
SCHEMBL12755580 0.81 SLC22A2 (0.36) AKR1C2AKR1C1IKBKBKIF11LMNA
SCHEMBL3986371 0.81 SLC22A2 (0.36) AKR1C2AKR1C1IKBKBKIF11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10724028-B2 Ligand-binding fiber and cell culture substrate using said fiber NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-07-28 US disclosed
US-20180010115-A1 LIGAND-BINDING FIBER AND CELL CULTURE SUBSTRATE USING SAID FIBER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-01-11 US disclosed
EP-2439204-B1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER NISSAN CHEMICAL IND LTD (JP) 2017-01-04 EP disclosed
EP-2246343-B1 PROCESS FOR PRODUCTION OF THIOPHENE COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL IND LTD (JP) 2016-05-18 EP disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
EP-1636192-B9 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2015-07-01 EP disclosed
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
US-8642786-B2 Process for producing thiophene compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-02-04 US disclosed
US-8642786-B2 Process for producing thiophene compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-02-04 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 US disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 EP disclosed
EP-1819692-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2007-08-22 EP disclosed
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed
WO-2006062240-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 WO disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 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 (6 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-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 AKR1C2 1462/4885AKR1C1 1338/4885IKBKB 2777/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 AKR1C2 1506/4885AKR1C1 1374/4885IKBKB 2738/4885
US-10724028-B2 Ligand-binding fiber and cell culture substrate using said fiber EPCAM, CD69, ADGRF1 AKR1C2 1931/4885AKR1C1 2138/4885IKBKB 4170/4885
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, PTAFR, MPL AKR1C2 543/4885AKR1C1 533/4885IKBKB 1314/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 AKR1C2 1553/4885AKR1C1 1425/4885IKBKB 2731/4885
US-20180010115-A1 LIGAND-BINDING FIBER AND CELL CULTURE SUBSTRATE USING SAID FIBER EPCAM, CD69, ADGRF1 AKR1C2 1931/4885AKR1C1 2138/4885IKBKB 4170/4885

“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.