SCHEMBL16337458

SCHEMBL16337458

Cc1ccc(S(=O)(=O)N2CCCC2)cc1B(O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
PKM P14618 3/20 0.64
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
MCOLN3 Q8TDD5 1/20 0.58
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
USP2 O75604 2/20 0.55
TDP1 Q9NUW8 1/20 0.52
POLB P06746 3/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL15165018 0.98 ALDH1A1 (0.65) ALDH1A1PKMMEN1KMT2ACRHBP
SCHEMBL29955875 0.88 TSHR (0.65) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL3409012 0.88 TSHR (0.65) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL29957788 0.87 ALDH1A1 (0.64) ALDH1A1PKMMEN1KMT2ACRHBP
SCHEMBL16195679 0.87 ALDH1A1 (0.64) ALDH1A1PKMMEN1KMT2ACRHBP
SCHEMBL29957713 0.86 MEN1 (0.64) ALDH1A1PKMMEN1KMT2ACRHBP
SCHEMBL17204350 0.83 HTT (0.51) ALDH1A1PKMMEN1KMT2AMCOLN3
SCHEMBL9616947 0.82 ALDH1A1 (0.69) ALDH1A1PKMMEN1KMT2ACRHBP
SCHEMBL15010831 0.81 ALDH1A1 (0.73) ALDH1A1PKMMEN1KMT2ACRHBP
SCHEMBL9796209 0.77 ALDH1A1 (0.67) ALDH1A1PKMMEN1KMT2ACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 EP disclosed
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2021-06-17 US disclosed
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2019-09-19 US disclosed
EP-3013337-B1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC (US) 2018-10-31 EP disclosed
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2017-06-22 US disclosed
US-9567339-B2 Primary carboxamides as BTK inhibitors ABBVIE INC. (US) 2017-02-14 US disclosed
US-20160244437-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-25 US disclosed
US-20160237067-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 US disclosed
EP-3049394-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA Bayer Pharma Aktiengesellschaft (DE) 2016-08-03 EP disclosed
EP-3049408-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2016-08-03 EP disclosed
WO-2015044169-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 WO disclosed
WO-2015044167-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 WO disclosed
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2015-01-01 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 (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-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 ALDH1A1 2557/4885PKM 1363/4885MEN1 940/4885
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 ALDH1A1 2557/4885PKM 1363/4885MEN1 940/4885
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 ALDH1A1 2557/4885PKM 1363/4885MEN1 940/4885
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 ALDH1A1 2557/4885PKM 1363/4885MEN1 940/4885
US-20160244437-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT ALDH1A1 1067/4885PKM 129/4885MEN1 1933/4885
US-20160237067-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT ALDH1A1 1093/4885PKM 120/4885MEN1 1857/4885

“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.