SCHEMBL1120466

SCHEMBL1120466

Cc1ccc(CCOS(C)(=O)=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
PLA2G7 Q13093 2/20 0.39
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
NAMPT P43490 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
PTGS2 P35354 1/20 0.33
POLB P06746 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL30490369 0.83 CA2 (0.41) TSHRSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL394291 0.83 CA2 (0.41) TSHRSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL22530705 0.82 ALDH1A1 (0.43) LMNAMEN1KMT2AGAAKDM4E
SCHEMBL21437239 0.82 MMP9 (0.36) TSHRSMN1; SMN2LMNAKDM4EUSP2
SCHEMBL14716358 0.81 CA2 (0.55) TSHRSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1640249 0.81 KCNH2 (0.39) FFAR4PTGS2
SCHEMBL4021881 0.81 HRH3 (0.37) TSHRLMNAMEN1KMT2AKDM4E
SCHEMBL121411 0.80 CA1 (0.40) TSHRSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3258334 0.80 CA2 (0.50) TSHRSMN1; SMN2LMNAKDM4EUSP2
SCHEMBL14279348 0.80 ELOVL1 (0.40) TSHRSMN1; SMN2LMNAGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008068-B1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES ASCENEURON SA (CH) 2020-12-30 EP disclosed
US-9505769-B2 Tetraaza-cyclopenta[a]indenyl derivatives ASCENEURON SA (CH) 2016-11-29 US disclosed
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
US-20160137648-A1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES ASCENEURON SA (CH) 2016-05-19 US disclosed
EP-3008068-A1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES Asceneuron SA (CH) 2016-04-20 EP disclosed
US-9271971-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-01 US disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 US disclosed
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-12-10 US disclosed
US-9085580-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-21 US disclosed
US-9079904-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-14 US disclosed
US-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 US disclosed
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
EP-2480080-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-08-01 EP disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 US disclosed
WO-2011038163-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
EP-2280968-A2 PYRIDO [3, 4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-02-09 EP disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 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 (7 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-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C TSHR 847/4885SMN1; SMN2 2604/4885LMNA 4568/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C TSHR 847/4885SMN1; SMN2 2604/4885LMNA 4568/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C TSHR 847/4885SMN1; SMN2 2604/4885LMNA 4568/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 TSHR 779/4885SMN1; SMN2 2767/4885LMNA 4622/4885
US-20160137648-A1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES CHRM1, CHRM2, CHRM3 TSHR 95/4885SMN1; SMN2 3628/4885LMNA 4307/4885
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C TSHR 847/4885SMN1; SMN2 2604/4885LMNA 4568/4885
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C TSHR 847/4885SMN1; SMN2 2604/4885LMNA 4568/4885

“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.