SCHEMBL1783709

SCHEMBL1783709

CCC(C)CCC(O)CC=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
GAPDH P04406 1/20 0.31

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
SCHEMBL1781869 0.88 FFAR1 (0.32)
SCHEMBL1780627 0.88 FFAR1 (0.35) GAPDH
SCHEMBL1784877 0.85 TSHR (0.39) TSHR
SCHEMBL580295 0.84 GAPDH (0.34) TSHRGAPDH
SCHEMBL28897922 0.83 TSHR (0.32) TSHRGAPDH
SCHEMBL1783801 0.82 ACE2 (0.43) TSHRGAPDH
SCHEMBL1784618 0.81 ALDH1A1 (0.33) TSHR
SCHEMBL1781971 0.81
SCHEMBL1784317 0.81 TSHR (0.31) TSHRGAPDH
SCHEMBL1784000 0.80 GAPDH (0.39) GAPDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711040-B2 Low substituted polymyxins and compositions thereof XELLIA PHARMACEUTICALS APS (DK) 2020-07-14 US claimed
EP-3166960-B1 LOW SUBSTITUTED POLYMYXINS AND COMPOSITIONS THEREOF XELLIA PHARMACEUTICALS APS (DK) 2019-08-07 EP claimed
US-20170218024-A1 LOW SUBSTITUTED POLYMYXINS AND COMPOSITIONS THEREOF XELLIA PHARMACEUTICALS APS (DK) 2017-08-03 US claimed
EP-3166960-A1 LOW SUBSTITUTED POLYMYXINS AND COMPOSITIONS THEREOF Xellia Pharmaceuticals ApS (DK) 2017-05-17 EP claimed
CN-106661090-A Low substituted polymyxins and compositions thereof 埃克斯利亚制药有限公司 2017-05-10 CN claimed
WO-2016005223-A1 LOW SUBSTITUTED POLYMYXINS AND COMPOSITIONS THEREOF XELLIA PHARMACEUTICALS APS (DK) 2016-01-14 WO claimed
US-20080207874-A1 cyclopeptide intermediates are prepared from polymyxin B are used to synthesize new peptide antibiotics; readily derivatized and deprotected to provide new families of antibiotics, which have potent anti-bacterial activity against gram-negative bacteria; also are useful and potent against gram-positive BIOSOURCE PHARM, INC. (US) 2008-08-28 US claimed
EP-1761554-A2 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME Biosource Pharm, Inc. (US) 2007-03-14 EP claimed
WO-2006083317-A9 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME BIOSOURCE PHARM INC (US) 2007-03-01 WO claimed
WO-2006083317-A2 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME BIOSOURCE PHARM, INC. (US) 2006-08-10 WO claimed
US-20230131376-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA UNIVERSITY OF NOTRE DAME DU LAC 2023-04-27 US disclosed
US-20210348207-A1 Multiple Heteroresistance to Guide Combination Antibiotic Regimens NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-11-11 US disclosed
WO-2021211123-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-10-21 WO disclosed
CN-113391018-A Unsaturated polymyxin and determination method of double bond position thereof 上海市食品药品检验研究院 2021-09-14 CN disclosed
US-20210215696-A1 Using Multiple Heteroresistance to Guide Combination Antibiotic Regimens EMORY UNIVERSITY 2021-07-15 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2010075416-A1 ANTIBIOTIC COMPOSITIONS FOR THE TREATMENT OF GRAM NEGATIVE INFECTIONS BIOSOURCE PHARM, INC. (US) 2010-07-01 WO disclosed
US-20100160215-A1 ANTIBIOTIC COMPOSITIONS FOR THE TREATMENT OF GRAM NEGATIVE INFECTIONS BIOSOURCE PHARM, INC. 2010-06-24 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
WO-2006083317-A9 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME BIOSOURCE PHARM INC (US) 2007-03-01 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 (8 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-20230131376-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA TLR4, TLR5, TLR1 TSHR 4060/4885GAPDH 3835/4885
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 TSHR 2479/4885GAPDH 3057/4885
US-20210348207-A1 Multiple Heteroresistance to Guide Combination Antibiotic Regimens POLI, SPOUT1, Q6ZSR9 TSHR 4585/4885GAPDH 3936/4885
US-20170218024-A1 LOW SUBSTITUTED POLYMYXINS AND COMPOSITIONS THEREOF TLR3, TLR4, TLR5 TSHR 4714/4885GAPDH 4866/4885
US-20210215696-A1 Using Multiple Heteroresistance to Guide Combination Antibiotic Regimens QTRT2, Q6ZSR9, SPOUT1 TSHR 4391/4885GAPDH 4041/4885
US-20100160215-A1 ANTIBIOTIC COMPOSITIONS FOR THE TREATMENT OF GRAM NEGATIVE INFECTIONS PSMB7, IL17A, IL1B TSHR 4731/4885GAPDH 4642/4885
US-20080207874-A1 cyclopeptide intermediates are prepared from polymyxin B are used to synthesize new peptide antibiotics; readily derivatized and deprotected to provide new families of antibiotics, which have potent anti-bacterial activity against gram-negative bacteria; also are useful and potent against gram-positive VIP, PREP, PEPD TSHR 4521/4885GAPDH 4732/4885
US-10711040-B2 Low substituted polymyxins and compositions thereof TLR3, TLR4, TLR5 TSHR 4714/4885GAPDH 4866/4885

“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.