SCHEMBL16819969

SCHEMBL16819969

COc1ccc(Cl)cc1NC[C@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CA1 P00915 4/20 0.45
▸ CA2 P00918 4/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ NLRP3 Q96P20 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ACHE P22303 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL16819911 1.00 LMNA (0.50) LMNAALDH1A1MEN1KMT2ACA1
SCHEMBL18938292 1.00 LMNA (0.50) LMNAALDH1A1MEN1KMT2ACA1
SCHEMBL16819984 1.00 LMNA (0.50) LMNAALDH1A1MEN1KMT2ACA1
SCHEMBL29467331 1.00 LMNA (0.50) LMNAALDH1A1MEN1KMT2ACA1
SCHEMBL18938176 0.90 LMNA (0.47) LMNAALDH1A1MEN1KMT2ATP53
SCHEMBL16845487 0.90 KMT2A (0.43) LMNAALDH1A1MEN1KMT2ACA1
SCHEMBL16819930 0.90 LMNA (0.47) LMNAALDH1A1MEN1KMT2ATP53
SCHEMBL15559419 0.90 KMT2A (0.43) LMNAALDH1A1MEN1KMT2ACA1
SCHEMBL16841694 0.90 ALDH1A1 (0.49) LMNAALDH1A1MEN1KMT2ACA1
SCHEMBL15556891 0.88 CA1 (0.42) LMNAALDH1A1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888229-B1 alpha7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-02-06 — — EP disclosed
EP-2888229-B1 alpha7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-02-06 — — EP disclosed
US-9790173-B2 Alpha-7 nicotinic acetylcholine receptor modulators and uses thereof-I MERCK SHARP & DOHME CORP. (US) 2017-10-17 — — US disclosed
US-9790173-B2 Alpha-7 nicotinic acetylcholine receptor modulators and uses thereof-I MERCK SHARP & DOHME CORP. (US) 2017-10-17 — — US disclosed
US-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I MERCK SHARP & DOHME CORP. (US) 2017-06-08 — — US disclosed
US-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I MERCK SHARP & DOHME CORP. (US) 2017-06-08 — — US disclosed
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I MERCK SHARP & DOHME CORP. 2015-06-25 — — US disclosed
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I MERCK SHARP & DOHME CORP. 2015-06-25 — — 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 (2 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-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I CHRNA7, CHRNA5, CHRNA6 LMNA 2675/4885ALDH1A1 846/4885MEN1 3964/4885
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 LMNA 3119/4885ALDH1A1 1762/4885MEN1 3873/4885

“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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