Sugi Predict

Sugi Predict / Compounds / SCHEMBL546544

SCHEMBL546544

SCHEMBL546544

CC1(C)CCc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.45
▸ KDM1A O60341 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ IDO1 P14902 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ TDP2 O95551 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL29736073 1.00 SIGMAR1 (0.45) SIGMAR1KDM1AMAOAMAOBDRD2
Ammonia Solution, Strong SCHEMBL29163352 0.98 SIGMAR1 (0.44) SIGMAR1KDM1AMAOAMAOBDRD2
Hydrochloric Acid SCHEMBL27471847 0.98 SIGMAR1 (0.44) SIGMAR1KDM1AMAOAMAOBDRD2
Formaldehyde SCHEMBL27942062 0.94 IDO1 (0.42) SIGMAR1KDM1AMAOAMAOBDRD2
Formamide SCHEMBL28452016 0.89 IDO1 (0.40) SIGMAR1KDM1AMAOAMAOBDRD2
SCHEMBL7326936 0.88 KDM1A (0.42) SIGMAR1KDM1AMAOAMAOBDRD2
SCHEMBL29604657 0.85 MAPT (0.38) SIGMAR1KDM1AMAOAMAOBDRD2
SCHEMBL31015909 0.80 SIGMAR1 (0.43) SIGMAR1MAOAMAOBDRD2HTR2A
SCHEMBL4152628 0.80 SIGMAR1 (0.43) SIGMAR1MAOAMAOBDRD2HTR2A
SCHEMBL6447320 0.80 SIGMAR1 (0.43) SIGMAR1KDM1AMAOAMAOBDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220233501-A1 THERAPEUTIC COMBINATIONS SUPERSALUS INC (US) 2022-07-28 — — US claimed
WO-2020167748-A1 THERAPEUTIC COMBINATIONS SUPERSALUS, INC. (US) 2020-08-20 — — WO claimed
US-20200253926-A1 THERAPEUTIC COMBINATIONS SUPERSALUS, INC. 2020-08-13 — — US claimed
CN-108383828-A 1 new, 2- as chemokine receptor modulators is bis--sulfamide derivative 阿勒根公司 2018-08-10 — — CN claimed
EP-2955173-B1 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-10-04 — — EP claimed
US-9603834-B2 1,2- bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-03-28 — — US claimed
CN-104059046-B flavonoid derivative and application thereof 江苏恩华药业股份有限公司 2017-02-08 — — CN claimed
US-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2016-08-11 — — US claimed
EP-2955173-A1 NOVEL 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-12-16 — — EP claimed
EP-2651901-B1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2015-05-27 — — EP claimed
CN-103384662-A Novel 1, 2-bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN INC 2013-11-06 — — CN claimed
EP-2651901-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 — — EP claimed
WO-2012082633-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 — — WO claimed
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 — — US claimed
US-20060199774-A1 Intensify nerve growth factor; using chroman compound OHNOGI HIROMU 2006-09-07 — — US claimed
US-7078386-B2 Enhancing agent for nerve growth factor production comprising a compound having a coumarin backbone or a compound having a 2-dimethyl chroman backbone TAKARA BIO, INC. (JP) 2006-07-18 — — US claimed
CN-1170528-C Use of inhibitors of KQT1 channel for the production of medicaments for the treatment of helminth and ectoparasite-related diseases ���ĵ�˹ҩ��¹����޹�˾ 2004-10-13 — — CN claimed
US-20040122082-A1 Remedies TAKARA BIO INC. (JP) 2004-06-24 — — US claimed
EP-1386919-A1 REMEDIES TAKARA BIO INC. (JP) 2004-02-04 — — EP claimed
US-5605703-A REDUCE TOXICITY OF DRUG WHEN ADMINISTERED BY INJECTION LIPOTEC, S.A. (ES) 1997-02-25 — — US claimed

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-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 SIGMAR1 132/4885KDM1A 4809/4885MAOA 4347/4885
US-20060199774-A1 Intensify nerve growth factor; using chroman compound NGF, BDNF, FGF1 SIGMAR1 3841/4885KDM1A 4298/4885MAOA 676/4885
US-20040122082-A1 Remedies NGF, BDNF, NGFR SIGMAR1 1635/4885KDM1A 4034/4885MAOA 28/4885
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 SIGMAR1 132/4885KDM1A 4809/4885MAOA 4347/4885

“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.