SCHEMBL13621103

SCHEMBL13621103

CN1CCC(S(=O)(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
GABRA1 P14867 1/20 0.43
TSHR P16473 1/20 0.43
GABRG2 P18507 1/20 0.43
NFKB1 P19838 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRA6 Q16445 1/20 0.43
CXCR2 P25025 2/20 0.33
NCF1 P14598 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
Hydrochloric Acid SCHEMBL28261316 0.98 LMNA (0.41) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL4327940 0.88 LMNA (0.48) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL25873244 0.87 LMNA (0.40) LMNACYP3A4GABRA1TSHRGABRG2
Hydrochloric Acid SCHEMBL27668202 0.86 LMNA (0.46) LMNACYP3A4GABRA1TSHRGABRG2
Hydrochloric Acid SCHEMBL28259954 0.85 SMN1; SMN2 (0.40) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL25873256 0.84 LMNA (0.38) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL12324 0.79 NCF1 (0.34) CXCR2NCF1
SCHEMBL14022395 0.79 NCF1 (0.34) CXCR2NCF1
SCHEMBL17052883 0.77 NCF1 (0.38) CXCR2NCF1
SCHEMBL20609823 0.77 NCF1 (0.38) CXCR2NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020164-A2 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. (US) 2024-01-25 WO disclosed
US-20230246229-A1 ORGANIC SULFONATE ELECTROLYTE ADDITIVES FOR ZINC BATTERIES Octet Scientific, Inc. 2023-08-03 US disclosed
WO-2023141301-A1 ORGANIC SULFONATE ELECTROLYTE ADDITIVES FOR ZINC BATTERIES Octet Scientific, Inc. (US) 2023-07-27 WO disclosed
US-8552031-B2 3-ethylidenehydrazino substituted heterocyclic compounds as thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-08 US disclosed
US-8552031-B2 3-ethylidenehydrazino substituted heterocyclic compounds as thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-08 US disclosed
US-20090281317-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2009-11-12 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 (1 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-20090281317-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS MPL, TEK, THPO LMNA 1814/4885CYP3A4 1932/4885GABRA1 1834/4885

“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.