SCHEMBL16336632

SCHEMBL16336632

Cc1ccc(S(=O)(=O)n2c(I)cc3c(F)ccc(C#N)c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 5/20 0.38
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ HSD11B1 P28845 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ EPAS1 Q99814 1/20 0.34
▸ PTGS2 P35354 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
SCHEMBL16382718 0.89 SLC22A12 (0.40) SLC22A12PTGDR2HSD11B1ALDH1A1LMNA
SCHEMBL16337138 0.78 RAPGEF4 (0.39) SLC22A12HSD11B1ALDH1A1LMNATDP1
SCHEMBL28826513 0.76 HSD11B1 (0.40) PTGDR2HSD11B1ALDH1A1LMNATDP1
SCHEMBL16339802 0.76 HTR6 (0.43) HTR6
SCHEMBL29709546 0.75 LMNA (0.44) HSD11B1ALDH1A1LMNAMEN1KMT2A
SCHEMBL16336992 0.75 LMNA (0.44) HSD11B1ALDH1A1LMNAMEN1KMT2A
SCHEMBL1777988 0.74 HSD11B1 (0.42) PTGDR2HSD11B1ALDH1A1LMNATDP1
SCHEMBL16382704 0.72 ALDH1A1 (0.36) HSD11B1ALDH1A1LMNATDP1MEN1
SCHEMBL30946466 0.70 ALDH1A1 (0.35) PTGDR2HSD11B1ALDH1A1LMNATDP1
SCHEMBL28171679 0.67 BRPF1 (0.41) ALDH1A1LMNATDP1MEN1KMT2A

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 SLC22A12 3768/4885PTGDR2 2133/4885HSD11B1 2519/4885
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 SLC22A12 3768/4885PTGDR2 2133/4885HSD11B1 2519/4885
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 SLC22A12 3768/4885PTGDR2 2133/4885HSD11B1 2519/4885
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 SLC22A12 3768/4885PTGDR2 2133/4885HSD11B1 2519/4885

“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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