Sugi Predict

Sugi Predict / Compounds / SCHEMBL466377

SCHEMBL466377

SCHEMBL466377

CC(C1CCCCC1)C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 1/20 0.48
▸ EPHX1 P07099 2/20 0.41
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GMNN O75496 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL483020 1.00 SHBG (0.48) SHBGEPHX1TP53ALDH1A1HSD17B10
SCHEMBL3860192 1.00 SHBG (0.48) SHBGEPHX1TP53ALDH1A1HSD17B10
SCHEMBL7366600 1.00 SHBG (0.48) SHBGEPHX1TP53ALDH1A1HSD17B10
Methane SCHEMBL11266020 0.97 SHBG (0.46) SHBGEPHX1TP53ALDH1A1HSD17B10
Ethane SCHEMBL11269854 0.97 SHBG (0.46) SHBGEPHX1TP53ALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL7990121 0.97 SHBG (0.46) SHBGEPHX1TP53ALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL6306401 0.97 SHBG (0.46) SHBGEPHX1TP53ALDH1A1HSD17B10
SCHEMBL3881590 0.96 SHBG (0.43) SHBGEPHX1TP53ALDH1A1HSD17B10
SCHEMBL9830140 0.93 SHBG (0.41) SHBGEPHX1TP53CA12CA1
SCHEMBL11043449 0.90 SHBG (0.39) SHBGEPHX1TP53CA12CA1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11931412-B2 JAK1 inhibitors and uses thereof WASHINGTON UNIVERSITY (US) 2024-03-19 — — US disclosed
US-20210338812-A1 JAK1 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2021-11-04 — — US disclosed
US-10973913-B2 JAK inhibitors and uses thereof WASHINGTON UNIVERSITY (US) 2021-04-13 — — US disclosed
US-20200282051-A1 JAK INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2020-09-10 — — US disclosed
WO-2017143014-A1 JAK INHIBITORS AND USES THEREOF KIM BRIAN (US) 2017-08-24 — — WO disclosed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 — — US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 — — US disclosed
EP-2865670-B1 Thiourea derivatives as glutaminyl cyclase inhibitors PROBIODRUG AG (DE) 2017-01-11 — — EP disclosed
US-9512082-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2016-12-06 — — US disclosed
US-20160039795-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2016-02-11 — — US disclosed
US-20080267912-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 — — US disclosed
WO-2008128981-A1 NITROVINYL-DIAMINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 — — WO disclosed
WO-2008128983-A1 CYANO-GUANIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 — — WO disclosed
WO-2008128985-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 — — WO disclosed
WO-2008128986-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 — — WO disclosed
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: PROBIODRUG AG (DE) 2008-10-23 — — US disclosed
WO-2008000645-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 — — WO disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 — — US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 — — US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 — — 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 (9 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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA SHBG 2487/4885EPHX1 160/4885TP53 3092/4885
US-20210338812-A1 JAK1 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 SHBG 4814/4885EPHX1 751/4885TP53 4449/4885
US-20160039795-A1 NOVEL INHIBITORS GLUL, QPCT, GLS SHBG 3566/4885EPHX1 1949/4885TP53 4017/4885
US-10973913-B2 JAK inhibitors and uses thereof JAK2, JAK1, JAK3 SHBG 4785/4885EPHX1 1287/4885TP53 4540/4885
US-11931412-B2 JAK1 inhibitors and uses thereof JAK1, JAK3, JAK2 SHBG 4884/4885EPHX1 544/4885TP53 4118/4885
US-20080267912-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT SHBG 4168/4885EPHX1 3366/4885TP53 2502/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 SHBG 4473/4885EPHX1 406/4885TP53 3660/4885
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: MAPT, SLC10A1, REN SHBG 3373/4885EPHX1 2438/4885TP53 860/4885
US-20200282051-A1 JAK INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 SHBG 4785/4885EPHX1 1287/4885TP53 4540/4885

“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.