SCHEMBL16336992

SCHEMBL16336992

Cc1ccc(S(=O)(=O)n2c(C3=CCN(S(C)(=O)=O)CC3)cc3c(F)ccc(C#N)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ THRB P10828 1/20 0.44
▸ CCNT1 O60563 10/20 0.41
▸ CDK9 P50750 10/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ HSD11B1 P28845 2/20 0.36

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
SCHEMBL29709546 1.00 LMNA (0.44) LMNATHRBCCNT1CDK9MEN1
SCHEMBL16386540 0.86 ALDH1A1 (0.40) LMNATHRBCCNT1CDK9MEN1
SCHEMBL16336344 0.86 LMNA (0.37) LMNATHRBCCNT1CDK9ALDH1A1
SCHEMBL16339802 0.83 HTR6 (0.43) CCNT1CDK9
Hydrochloric Acid SCHEMBL16336575 0.82 HTR6 (0.42) CCNT1CDK9
SCHEMBL16382718 0.78 SLC22A12 (0.40) LMNAMEN1ALDH1A1KMT2AHPGD
SCHEMBL16336506 0.77 GAA (0.35) LMNATHRBCCNT1CDK9MEN1
SCHEMBL17535006 0.75 CCNT1 (0.65) CCNT1CDK9
SCHEMBL16336632 0.75 SLC22A12 (0.38) LMNAMEN1ALDH1A1KMT2AHPGD
SCHEMBL16337130 0.74 CCNT1 (0.36) LMNACCNT1CDK9MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3483167-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2019-05-15 — — EP 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-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2017-06-22 — — US 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-9567339-B2 Primary carboxamides as BTK inhibitors ABBVIE INC. (US) 2017-02-14 — — US disclosed
US-9567339-B2 Primary carboxamides as BTK inhibitors ABBVIE INC. (US) 2017-02-14 — — US disclosed
EP-3013337-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS Abbvie Inc. (US) 2016-05-04 — — EP disclosed
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2015-01-01 — — US disclosed
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2015-01-01 — — US disclosed
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2015-01-01 — — US disclosed
WO-2014210255-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2014-12-31 — — WO disclosed
WO-2014210255-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2014-12-31 — — 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 (4 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 LMNA 2950/4885THRB 2186/4885CCNT1 1238/4885
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 LMNA 2950/4885THRB 2186/4885CCNT1 1238/4885
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 LMNA 2950/4885THRB 2186/4885CCNT1 1238/4885
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 LMNA 2950/4885THRB 2186/4885CCNT1 1238/4885

“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.

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