Sugi Predict

Sugi Predict / Compounds / SCHEMBL4483300

SCHEMBL4483300

SCHEMBL4483300

O=S(=O)(Cl)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 4/20 0.54
▸ AKR1B1 P15121 1/20 0.54
▸ MAOB P27338 3/20 0.53
▸ CA2 P00918 4/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ KDM4E B2RXH2 4/20 0.46
▸ GPR35 Q9HC97 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ BCAT1 P54687 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL6737172 0.85 CA2 (0.46) CCR2AKR1B1CA2CA12CA1
Hydrochloric Acid SCHEMBL28076368 0.82 CCR2 (0.51) CCR2AKR1B1MAOBCA2CA12
SCHEMBL18233460 0.80 CA2 (0.51) CCR2AKR1B1CA2CA12CA1
SCHEMBL18224099 0.80 CA2 (0.51) MAOBCA2CA12CA1CA9
SCHEMBL7261695 0.80 CA2 (0.51) CA2CA12CA1CA9GPR35
SCHEMBL720789 0.77 CA2 (0.67) CCR2AKR1B1CA2CA12CA1
SCHEMBL9063028 0.77 CA2 (0.67) CCR2AKR1B1CA2CA12CA1
SCHEMBL8798152 0.77 CA2 (0.37) CCR2AKR1B1MAOBCA2CA12
SCHEMBL17579133 0.76 CA2 (0.72) AKR1B1MAOBCA2CA12CA1
SCHEMBL6298889 0.73 USP2 (0.56) CCR2AKR1B1MAOBCA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590708-B Aroyl piperazine compound, preparation method thereof and application thereof in antivirus 中国医学科学院医药生物技术研究所 2021-08-17 — — CN disclosed
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2021-06-29 — — US disclosed
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2020-04-09 — — US disclosed
CN-110590708-A Aroyl piperazine compound, preparation method thereof and application thereof in antivirus 中国医学科学院医药生物技术研究所 2019-12-20 — — CN disclosed
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2019-05-14 — — US disclosed
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 — — EP disclosed
US-9663460-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-05-30 — — US disclosed
US-20170050925-A9 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2017-02-23 — — US disclosed
CN-106220618-A SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS 阿勒根公司 2016-12-14 — — CN disclosed
CN-103380115-B Sulfur derivatives as chemokine receptor modulators 阿勒根公司 2016-08-24 — — CN disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 — — EP disclosed
US-6300330-B1 BLOOD COAGULATION FACTOR X INHIBITORS AS ANTICOAGULANTS ZENECA LIMITED (GB) 2001-10-09 — — US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 — — EP disclosed
EP-1082321-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA AstraZeneca AB (SE) 2001-03-14 — — EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 — — US disclosed
CN-1235597-A Heterocycle derivatives inhibiting factor Xa ZENECA LTD (GB) 1999-11-17 — — CN disclosed
WO-1999057113-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 1999-11-11 — — WO disclosed
EP-0937048-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1999-08-25 — — EP disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 — — EP disclosed
WO-1998021188-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1998-05-22 — — 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-20170050925-A9 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CCR2 3/4885AKR1B1 1691/4885MAOB 3745/4885
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CCR2 3/4885AKR1B1 1691/4885MAOB 3745/4885
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CCR2 3/4885AKR1B1 1691/4885MAOB 3745/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CCR2 3/4885AKR1B1 1691/4885MAOB 3745/4885

“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.