SCHEMBL9934504

SCHEMBL9934504

O=[N+]([O-])c1cc(CCl)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
CCR2 P41597 1/20 0.36
TSHR P16473 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
NOS1 P29475 1/20 0.32
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
MCL1 Q07820 1/20 0.30
TDP1 Q9NUW8 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 SCHEMBL31555632 0.98 HPGD (0.36) HPGDCCR2TSHRSMN1; SMN2ALDH1A1
SCHEMBL4015568 0.81 HPGD (0.40) HPGDCCR2ALDH1A1MAPTPOLB
SCHEMBL27725626 0.77 HPGD (0.40) HPGDSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL28038521 0.74 HPGD (0.33) HPGD
SCHEMBL16645510 0.74
SCHEMBL10400082 0.73 HRH1 (0.36) HPGDCCR2
SCHEMBL162091 0.71 HPGD (0.41) HPGDTSHRMAPTLMNACYP3A4
SCHEMBL27819434 0.70 TSHR (0.43) TSHRSMN1; SMN2MAPTMEN1NPC1
SCHEMBL10002534 0.69
SCHEMBL9934565 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2019-05-14 US disclosed
CN-106220618-B Sulfur derivatives as chemokine receptor modulators 阿勒根公司 2019-04-26 CN 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-3050873-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-08-03 EP disclosed
US-8791161-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2014-07-29 US disclosed
CN-103380115-A Sulfur derivatives as chemokine receptor modulators ALLERGAN INC 2013-10-30 CN disclosed
EP-2651893-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP disclosed
US-20130252984-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-26 US disclosed
US-20130237552-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-20130190338-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-07-25 US disclosed
US-20130165460-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-27 US disclosed
US-8450367-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-05-28 US disclosed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US disclosed
WO-2012082566-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 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-20170050925-A9 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 HPGD 376/4885CCR2 3/4885TSHR 697/4885
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 HPGD 376/4885CCR2 3/4885TSHR 697/4885
US-20130190338-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 HPGD 376/4885CCR2 3/4885TSHR 697/4885
US-20130165460-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 HPGD 376/4885CCR2 3/4885TSHR 697/4885
US-20130237552-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 HPGD 376/4885CCR2 3/4885TSHR 697/4885
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 HPGD 376/4885CCR2 3/4885TSHR 697/4885
US-20130252984-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 HPGD 376/4885CCR2 3/4885TSHR 697/4885
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 HPGD 376/4885CCR2 3/4885TSHR 697/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 HPGD 376/4885CCR2 3/4885TSHR 697/4885

“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.