SCHEMBL434755

SCHEMBL434755

C=C(C[N+](C)(C)C)C(=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
APEX1 P27695 1/20 0.42
BBOX1 O75936 2/20 0.34
SLC22A16 Q86VW1 1/20 0.34
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CA4 P22748 2/20 0.32

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 SCHEMBL2399402 0.97 TSHR (0.42) TSHRALDH1A1LMNAAPEX1BBOX1
Acetic Acid SCHEMBL9389970 0.91 TSHR (0.42) TSHRALDH1A1LMNAAPEX1BBOX1
Acrylamide SCHEMBL17457007 0.84 TSHR (0.41) TSHRALDH1A1LMNAAPEX1BBOX1
SCHEMBL15327604 0.79 TSHR (0.43) TSHRALDH1A1LMNAAPEX1BBOX1
SCHEMBL29254396 0.78 BBOX1 (0.42) BBOX1
SCHEMBL1898329 0.76 TSHR (0.52) TSHRALDH1A1LMNAAPEX1
SCHEMBL1974755 0.75 ACHE (0.39) TSHRLMNABBOX1SLC22A16
Bromide SCHEMBL22034719 0.74 TSHR (0.50) TSHRALDH1A1LMNAAPEX1
SCHEMBL8742965 0.74 TSHR (0.43) TSHRALDH1A1LMNAAPEX1
Hydrochloric Acid SCHEMBL8616930 0.74 ALDH1A1 (0.55) TSHRALDH1A1LMNAAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3003277-B1 PROCESS FOR THE PREPARATION OF A PHARMACEUTICAL COMPOSITION COMPRISING RIVAROXABAN SANDOZ AG (CH) 2019-02-20 EP claimed
EP-1588692-B1 Durable foamed composition WELLA AG (DE) 2008-09-24 EP claimed
US-20250136682-A1 ANTI-SIGLEC-3 ANTIBODIES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND USES THEREOF ACADEMIA SINICA (TW) 2025-05-01 US disclosed
EP-4504263-A1 ANTI-SIGLEC-3 ANTIBODIES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND USES THEREOF Academia Sinica (TW) 2025-02-12 EP disclosed
EP-4456983-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MACITENTAN AS ACTIVE INGREDIENT AND OTHER RELEVANT EXCIPIENTS Humanis Saglik Anonim Sirketi (TR) 2024-11-06 EP disclosed
WO-2023196761-A1 ANTI-SIGLEC-3 ANTIBODIES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND USES THEREOF ACADEMIA SINICA (TW) 2023-10-12 WO disclosed
WO-2023128898-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MACITENTAN AS ACTIVE INGREDIENT AND OTHER RELEVANT EXCIPIENTS HUMANIS SAGLIK ANONIM SIRKETI (TR) 2023-07-06 WO disclosed
WO-2023112049-A1 HERBAL PHARMACEUTICAL COMPOSITION FOR TREATMENT OF LIVER DISORDERS DR. REDDY’S LABORATORIES LIMITED (IN) 2023-06-22 WO disclosed
EP-2806860-B1 PHARMACEUTICAL COMPOSITION CONTAINING CRYSTALLINE SORAFENIB TOSYLATE SANDOZ AG (CH) 2023-04-19 EP disclosed
EP-3601278-B1 CRYSTALLINE FORM OF MASITINIB SANDOZ AG (CH) 2022-10-26 EP disclosed
WO-2022070209-A1 BIPHASIC RELEASE FIXED DOSE COMBINATION FORMULATIONS DR. REDDY'S LABORATORIES LIMITED (IN) 2022-04-07 WO disclosed
EP-1868579-B1 PHARMACEUTICAL COMPOSITION COMPRISING AN OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREA FOR THE TREATMENT OF CANCER BAYER SCHERING PHARMA AG (DE) 2010-09-29 EP disclosed
EP-2094268-A2 DRUG COMBINATIONS WITH SUBSTITUTED DIARYL UREAS FOR THE TREATMENT OF CANCER Bayer HealthCare, LLC (US) 2009-09-02 EP disclosed
US-20080242707-A1 Using 4-(3-(4-chloro-3-trifluoromethylphenyl)ureido)phenoxy)-2-pyridinecarboxylic acid methyl amide BAYER HEALTHCARE AG (DE) 2008-10-02 US disclosed
US-20080045589-A1 Drug Combinations with Substituted Diaryl Ureas for the Treatment of Cancer BAYER HEALTHCARE LLC 2008-02-21 US disclosed
EP-1868579-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREA FOR THE TREATMENT OF CANCER Bayer HealthCare AG (DE) 2007-12-26 EP disclosed
WO-2007139930-A2 DRUG COMBINATIONS WITH SUBSTITUTED DIARYL UREAS FOR THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-12-06 WO disclosed
WO-2006094626-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN OMEGA- CARBOXYARYL SUBSTITUTED DIPHENYL UREA FOR THE TREATMENT OF CANCER BAYER HEALTHCARE AG (DE) 2006-09-14 WO disclosed
US-6024987-A ANTACIDS AND H2 ANTAGONIST WITH DISINTEGRANT RHONE-POULENC RORER GMBH (DE) 2000-02-15 US disclosed
US-6008249-A COMPRISING A PROMOTER FOR ACCELERATING THE DECOMPOSITION OF DRUG MIXTURE IN THE MOUTH OR IN A LIQUID RHONE-POULENC RORER GMBH (DE) 1999-12-28 US 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 (2 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-20080045589-A1 Drug Combinations with Substituted Diaryl Ureas for the Treatment of Cancer XPOT, XPO6, DDB1 TSHR 4549/4885ALDH1A1 2861/4885LMNA 3298/4885
US-20080242707-A1 Using 4-(3-(4-chloro-3-trifluoromethylphenyl)ureido)phenoxy)-2-pyridinecarboxylic acid methyl amide MKI67, CCNC, CCNI TSHR 4435/4885ALDH1A1 1329/4885LMNA 2385/4885

“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.